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namd_gpfs_deamons_isolated.txt
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namd_gpfs_deamons_isolated.txt
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Choosing optimized barrier algorithm name I0:MultiLeaderBarrier:SHMEM:P2P
Converse/Charm++ Commit ID: v6.8.2-0-g26d4bd8
[0] isomalloc.c> Disabling isomalloc because isomalloc disabled by user.
CharmLB> Load balancer assumes all CPUs are same.
Charm++> cpu affinity enabled.
Setting default affinity
Charm++> Running on 40 unique compute nodes (176-way SMP).
Charm++> cpu topology info is gathered in 0.188 seconds.
Info: Built with CUDA version 9010
Pe 2 physical rank 2 will use CUDA device of pe 4
Pe 3 physical rank 3 will use CUDA device of pe 4
Pe 1 physical rank 1 will use CUDA device of pe 4
Pe 6 physical rank 6 will use CUDA device of pe 4
Pe 0 physical rank 0 will use CUDA device of pe 4
Pe 4 sharing CUDA device 0
Pe 5 physical rank 5 will use CUDA device of pe 4
Pe 55 physical rank 13 will use CUDA device of pe 49
Pe 53 physical rank 11 will use CUDA device of pe 49
Pe 49 sharing CUDA device 0
Pe 52 physical rank 10 will use CUDA device of pe 49
Pe 51 physical rank 9 will use CUDA device of pe 49
Pe 54 physical rank 12 will use CUDA device of pe 49
Pe 50 physical rank 8 will use CUDA device of pe 49
Pe 4 physical rank 4 binding to CUDA device 0 on a25n11: 'Tesla V100-SXM2-16GB' Mem: 16128MB Rev: 7.0
Pe 49 physical rank 7 binding to CUDA device 0 on a25n14: 'Tesla V100-SXM2-16GB' Mem: 16128MB Rev: 7.0
Pe 12 physical rank 12 will use CUDA device of pe 7
Pe 10 physical rank 10 will use CUDA device of pe 7
Pe 11 physical rank 11 will use CUDA device of pe 7
Pe 9 physical rank 9 will use CUDA device of pe 7
Pe 13 physical rank 13 will use CUDA device of pe 7
Pe 45 physical rank 3 will use CUDA device of pe 42
Pe 46 physical rank 4 will use CUDA device of pe 42
Pe 48 physical rank 6 will use CUDA device of pe 42
Pe 44 physical rank 2 will use CUDA device of pe 42
Pe 43 physical rank 1 will use CUDA device of pe 42
Pe 8 physical rank 8 will use CUDA device of pe 7
Pe 7 sharing CUDA device 0
Pe 47 physical rank 5 will use CUDA device of pe 42
Pe 42 sharing CUDA device 0
Pe 7 physical rank 7 binding to CUDA device 0 on a25n11: 'Tesla V100-SXM2-16GB' Mem: 16128MB Rev: 7.0
Pe 42 physical rank 0 binding to CUDA device 0 on a25n14: 'Tesla V100-SXM2-16GB' Mem: 16128MB Rev: 7.0
Pe 16 physical rank 16 will use CUDA device of pe 14
Pe 60 physical rank 18 will use CUDA device of pe 56
Pe 19 physical rank 19 will use CUDA device of pe 14
Pe 20 physical rank 20 will use CUDA device of pe 14
Pe 18 physical rank 18 will use CUDA device of pe 14
Pe 15 physical rank 15 will use CUDA device of pe 14
Pe 14 sharing CUDA device 0
Pe 17 physical rank 17 will use CUDA device of pe 14
Pe 58 physical rank 16 will use CUDA device of pe 56
Pe 62 physical rank 20 will use CUDA device of pe 56
Pe 61 physical rank 19 will use CUDA device of pe 56
Pe 56 sharing CUDA device 0
Pe 57 physical rank 15 will use CUDA device of pe 56
Pe 59 physical rank 17 will use CUDA device of pe 56
Pe 14 physical rank 14 binding to CUDA device 0 on a25n11: 'Tesla V100-SXM2-16GB' Mem: 16128MB Rev: 7.0
Pe 56 physical rank 14 binding to CUDA device 0 on a25n14: 'Tesla V100-SXM2-16GB' Mem: 16128MB Rev: 7.0
Pe 23 physical rank 23 will use CUDA device of pe 21
Pe 26 physical rank 26 will use CUDA device of pe 21
Pe 25 physical rank 25 will use CUDA device of pe 21
Pe 21 sharing CUDA device 0
Pe 22 physical rank 22 will use CUDA device of pe 21
Pe 67 physical rank 25 will use CUDA device of pe 63
Pe 24 physical rank 24 will use CUDA device of pe 21
Pe 69 physical rank 27 will use CUDA device of pe 63
Pe 27 physical rank 27 will use CUDA device of pe 21
Pe 65 physical rank 23 will use CUDA device of pe 63
Pe 64 physical rank 22 will use CUDA device of pe 63
Pe 68 physical rank 26 will use CUDA device of pe 63
Pe 66 physical rank 24 will use CUDA device of pe 63
Pe 63 sharing CUDA device 0
Pe 21 physical rank 21 binding to CUDA device 0 on a25n11: 'Tesla V100-SXM2-16GB' Mem: 16128MB Rev: 7.0
Pe 30 physical rank 30 will use CUDA device of pe 28
Pe 32 physical rank 32 will use CUDA device of pe 28
Pe 63 physical rank 21 binding to CUDA device 0 on a25n14: 'Tesla V100-SXM2-16GB' Mem: 16128MB Rev: 7.0
Pe 34 physical rank 34 will use CUDA device of pe 28
Pe 33 physical rank 33 will use CUDA device of pe 28
Pe 28 sharing CUDA device 0
Pe 31 physical rank 31 will use CUDA device of pe 28
Pe 29 physical rank 29 will use CUDA device of pe 28
Pe 28 physical rank 28 binding to CUDA device 0 on a25n11: 'Tesla V100-SXM2-16GB' Mem: 16128MB Rev: 7.0
Pe 79 physical rank 37 will use CUDA device of pe 77
Pe 83 physical rank 41 will use CUDA device of pe 77
Pe 78 physical rank 36 will use CUDA device of pe 77
Pe 81 physical rank 39 will use CUDA device of pe 77
Pe 80 physical rank 38 will use CUDA device of pe 77
Pe 82 physical rank 40 will use CUDA device of pe 77
Pe 77 sharing CUDA device 0
Pe 39 physical rank 39 will use CUDA device of pe 35
Pe 41 physical rank 41 will use CUDA device of pe 35
Pe 38 physical rank 38 will use CUDA device of pe 35
Pe 37 physical rank 37 will use CUDA device of pe 35
Pe 36 physical rank 36 will use CUDA device of pe 35
Pe 35 sharing CUDA device 0
Pe 77 physical rank 35 binding to CUDA device 0 on a25n14: 'Tesla V100-SXM2-16GB' Mem: 16128MB Rev: 7.0
Pe 76 physical rank 34 will use CUDA device of pe 70
Pe 74 physical rank 32 will use CUDA device of pe 70
Pe 72 physical rank 30 will use CUDA device of pe 70
Pe 75 physical rank 33 will use CUDA device of pe 70
Pe 71 physical rank 29 will use CUDA device of pe 70
Pe 73 physical rank 31 will use CUDA device of pe 70
Pe 70 sharing CUDA device 0
Pe 70 physical rank 28 binding to CUDA device 0 on a25n14: 'Tesla V100-SXM2-16GB' Mem: 16128MB Rev: 7.0
Pe 40 physical rank 40 will use CUDA device of pe 35
Pe 35 physical rank 35 binding to CUDA device 0 on a25n11: 'Tesla V100-SXM2-16GB' Mem: 16128MB Rev: 7.0
Info: NAMD 2.12 for Linux-POWER-pami-smp-CUDA-memopt
Warning:
Warning: *** EXPERIMENTAL MEMORY OPTIMIZED VERSION ***
Warning:
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 60800 for pami-linux-ppc64le-smp
Info: Built Thu Feb 8 14:17:12 EST 2018 by acun1 on batch1
Info: 1 NAMD 2.12 Linux-POWER-pami-smp-CUDA-memopt 1680 a25n11 acun1
Info: Running on 1680 processors, 240 nodes, 40 physical nodes.
Info: CPU topology information available.
Info: Charm++/Converse parallel runtime startup completed at 2.27658 s
CkLoopLib is used in SMP with a simple dynamic scheduling (converse-level notification) but not using node-level queue
Info: 533 MB of memory in use based on /proc/self/stat
Info: Configuration file is /ccs/home/acun1/NAMD/stmv_20m/20stmv.namd
Info: Changed directory to /ccs/home/acun1/NAMD/stmv_20m
TCL: Suspending until startup complete.
Info: SIMULATION PARAMETERS:
Info: TIMESTEP 1
Info: NUMBER OF STEPS 5000
Info: STEPS PER CYCLE 20
Info: PERIODIC CELL BASIS 1 1084.16 0 0
Info: PERIODIC CELL BASIS 2 0 433.664 0
Info: PERIODIC CELL BASIS 3 0 0 433.664
Info: PERIODIC CELL CENTER 0 0 0
Info: LOAD BALANCER Hybrid
Info: LOAD BALANCING STRATEGY New Load Balancers -- DEFAULT
Info: LDB PERIOD 4000 steps
Info: FIRST LDB TIMESTEP 100
Info: HYBRIDLB GROUP SIZE 420
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 LOAD FROM NODE 1
Info: REMOVING PATCHES FROM PROCESSOR 0
Info: REMOVING PATCHES FROM PROCESSOR 1
Info: MAX SELF PARTITIONS 1
Info: MAX PAIR PARTITIONS 1
Info: SELF PARTITION ATOMS 154
Info: SELF2 PARTITION ATOMS 154
Info: PAIR PARTITION ATOMS 318
Info: PAIR2 PARTITION ATOMS 637
Info: MIN ATOMS PER PATCH 40
Info: INITIAL TEMPERATURE 298
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: NO DCD TRAJECTORY OUTPUT
Info: NO EXTENDED SYSTEM TRAJECTORY OUTPUT
Info: NO VELOCITY DCD OUTPUT
Info: NO FORCE DCD OUTPUT
Info: OUTPUT FILENAME /gpfs/alpinetds/csc190/scratch/acun1/20stmv-output
Info: BINARY OUTPUT FILES WILL BE USED
Info: NO RESTART FILE
Info: SWITCHING ACTIVE
Info: SWITCHING ON 10
Info: SWITCHING OFF 12
Info: PAIRLIST DISTANCE 13.5
Info: PAIRLIST SHRINK RATE 0.01
Info: PAIRLIST GROW RATE 0.01
Info: PAIRLIST TRIGGER 0.3
Info: PAIRLISTS PER CYCLE 2
Info: REQUIRING 128 PROCESSORS FOR PAIRLISTS
Info: PAIRLISTS ENABLED
Info: MARGIN 0.48
Info: HYDROGEN GROUP CUTOFF 2.5
Info: PATCH DIMENSION 16.48
Info: ENERGY OUTPUT STEPS 100
Info: CROSSTERM ENERGY INCLUDED IN DIHEDRAL
Info: TIMING OUTPUT STEPS 100
Info: LANGEVIN DYNAMICS ACTIVE
Info: LANGEVIN TEMPERATURE 298
Info: LANGEVIN USING BBK INTEGRATOR
Info: LANGEVIN DAMPING COEFFICIENT IS 5 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 298 K
Info: PRESSURE CONTROL IS GROUP-BASED
Info: INITIAL STRAIN RATE IS 0 0 0
Info: CELL FLUCTUATION IS ISOTROPIC
Info: PARTICLE MESH EWALD (PME) ACTIVE
Info: PME TOLERANCE 1e-06
Info: PME EWALD COEFFICIENT 0.257952
Info: PME INTERPOLATION ORDER 8
Info: PME GRID DIMENSIONS 540 216 216
Info: PME MAXIMUM GRID SPACING 2.1
Info: PME RECIPROCAL SUM OFFLOADED TO GPU
Info: FULL ELECTROSTATIC EVALUATION FREQUENCY 4
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: NONBONDED FORCES EVALUATED EVERY 2 STEPS
Info: RANDOM NUMBER SEED 3141
Info: USE HYDROGEN BONDS? NO
Info: STRUCTURE FILE 5x2x2stmv.js.inter
Info: PARAMETER file: CHARMM format!
Info: PARAMETERS par_all27_prot_na.inp
Info: USING ARITHMETIC MEAN TO COMBINE L-J SIGMA PARAMETERS
Info: BINARY COORDINATES 5x2x2stmv.coor
Info: SUMMARY OF PARAMETERS:
Info: 250 BONDS
Info: 622 ANGLES
Info: 1049 DIHEDRAL
Info: 73 IMPROPER
Info: 0 CROSSTERM
Info: 130 VDW
Info: 0 VDW_PAIRS
Info: 0 NBTHOLE_PAIRS
Info: TIME FOR READING PSF FILE: 0.0169842
Info:
Info: Entering startup at 2.6162 s, 538.5 MB of memory in use
Info: Startup phase 0 took 0.133291 s, 538.625 MB of memory in use
Warning: an empty exclusion signature with index 709!
Info: Startup phase 1 took 0.120004 s, 539.875 MB of memory in use
Info: NONBONDED TABLE R-SQUARED SPACING: 0.0625
Info: NONBONDED TABLE SIZE: 769 POINTS
Info: ABSOLUTE IMPRECISION IN FAST TABLE ENERGY: 3.38813e-21 AT 11.7447
Info: RELATIVE IMPRECISION IN FAST TABLE ENERGY: 6.92477e-14 AT 11.9138
Info: ABSOLUTE IMPRECISION IN FAST TABLE FORCE: 1.05879e-22 AT 11.9138
Info: RELATIVE IMPRECISION IN FAST TABLE FORCE: 5.61745e-16 AT 11.9138
Info: INCONSISTENCY IN FAST TABLE ENERGY VS FORCE: 0.000325096 AT 11.9556
Info: ABSOLUTE IMPRECISION IN SCOR TABLE ENERGY: 3.38813e-21 AT 11.7447
Info: RELATIVE IMPRECISION IN SCOR TABLE ENERGY: 4.24069e-16 AT 11.9138
Info: ABSOLUTE IMPRECISION IN SCOR TABLE FORCE: 3.97047e-22 AT 11.9138
Info: RELATIVE IMPRECISION IN SCOR TABLE FORCE: 3.45399e-15 AT 11.9138
Info: INCONSISTENCY IN SCOR TABLE ENERGY VS FORCE: 0.000324844 AT 11.9556
Info: ABSOLUTE IMPRECISION IN VDWA TABLE ENERGY: 9.86076e-32 AT 11.8295
Info: RELATIVE IMPRECISION IN VDWA TABLE ENERGY: 6.75473e-14 AT 11.9138
Info: ABSOLUTE IMPRECISION IN VDWA TABLE FORCE: 4.62223e-32 AT 11.9138
Info: RELATIVE IMPRECISION IN VDWA TABLE FORCE: 2.12237e-15 AT 11.9138
Info: INCONSISTENCY IN VDWA TABLE ENERGY VS FORCE: 0.0040507 AT 0.251946
Info: ABSOLUTE IMPRECISION IN VDWB TABLE ENERGY: 4.1359e-25 AT 11.8295
Info: RELATIVE IMPRECISION IN VDWB TABLE ENERGY: 7.56853e-15 AT 11.9138
Info: ABSOLUTE IMPRECISION IN VDWB TABLE FORCE: 3.87741e-26 AT 11.9138
Info: RELATIVE IMPRECISION IN VDWB TABLE FORCE: 5.97409e-16 AT 11.9138
Info: INCONSISTENCY IN VDWB TABLE ENERGY VS FORCE: 0.00150189 AT 0.251946
Info: Running with 50 input processors.
Info: Running with 50 output processors (50 of them will output simultaneously).
Info: INPUT PROC LOCATIONS: 14 56 70 98 154 182 238 266 280 322 ... 1666
Info: OUTPUT PROC LOCATIONS: 28 42 84 112 126 168 196 210 252 294 ... 1638
Info: Startup phase 2 took 0.522837 s, 543.75 MB of memory in use
Info: Startup phase 3 took 2.46335 s, 544.938 MB of memory in use
Info: PATCH GRID IS 65 (PERIODIC) BY 26 (PERIODIC) BY 26 (PERIODIC)
Info: PATCH GRID IS 1-AWAY BY 1-AWAY BY 1-AWAY
Info: LOADED 36203920 TOTAL EXCLUSIONS
Info: REMOVING COM VELOCITY -0.00445279 -0.0151658 0.00708915
Info: Startup phase 4 took 3.22174 s, 745.562 MB of memory in use
Info: ****************************
Info: STRUCTURE SUMMARY:
Info: 21332560 ATOMS
Info: 15399120 BONDS
Info: 12117440 ANGLES
Info: 9017500 DIHEDRALS
Info: 491560 IMPROPERS
Info: 0 CROSSTERMS
Info: 0 EXCLUSIONS
Info: 19548320 RIGID BONDS
Info: 44449360 DEGREES OF FREEDOM
Info: 7781340 HYDROGEN GROUPS
Info: 4 ATOMS IN LARGEST HYDROGEN GROUP
Info: 7781340 MIGRATION GROUPS
Info: 4 ATOMS IN LARGEST MIGRATION GROUP
Info: TOTAL MASS = 1.33975e+08 amu
Info: TOTAL CHARGE = 0.00336207 e
Info: MASS DENSITY = 1.09115 g/cm^3
Info: ATOM DENSITY = 0.104627 atoms/A^3
Info: *****************************
Info: LARGEST PATCH (10274) HAS 541 ATOMS
Info: Startup phase 5 took 0.150077 s, 745.688 MB of memory in use
Info: TORUS A SIZE 40 USING 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39
Info: TORUS B SIZE 1 USING 0
Info: TORUS C SIZE 1 USING 0
Info: TORUS MINIMAL MESH SIZE IS 40 BY 1 BY 1
Info: Placed 100% of base nodes on same physical node as patch
Info: Startup phase 6 took 0.205674 s, 847.188 MB of memory in use
Info: PME using 12 x 12 x 11 pencil grid for FFT and reciprocal sum.
Info: PME Z PENCIL LOCATIONS: 1 10 24 38 52 59 66 80 94 108 ...
Info: PME Y PENCIL LOCATIONS: 3 17 31 45 68 73 87 101 110 115 ...
Info: PME X PENCIL LOCATIONS: 12 19 26 40 54 61 82 96 103 124 ...
Info: Startup phase 7 took 0.148066 s, 848.938 MB of memory in use
Info: Updated CUDA force table with 4096 elements.
Info: Updated CUDA force table with 4096 elements.
Info: Updated CUDA force table with 4096 elements.
Info: Updated CUDA force table with 4096 elements.
Info: Updated CUDA force table with 4096 elements.
Info: Updated CUDA force table with 4096 elements.
Info: Updated CUDA LJ table with 130 x 130 elements.
Info: Updated CUDA LJ table with 130 x 130 elements.
Info: Updated CUDA LJ table with 130 x 130 elements.
Info: Updated CUDA LJ table with 130 x 130 elements.
Info: Updated CUDA LJ table with 130 x 130 elements.
Info: Updated CUDA LJ table with 130 x 130 elements.
Info: Startup phase 8 took 0.0110459 s, 851.875 MB of memory in use
Info: Startup phase 9 took 0.235166 s, 851.875 MB of memory in use
Info: Startup phase 10 took 0.038852 s, 864.75 MB of memory in use
Info: Startup phase 11 took 0.00241995 s, 869.562 MB of memory in use
LDB: Hybrid LB being created...
HybridBaseLB: ThreeLevelTree is created.
Info: Startup phase 12 took 0.0241151 s, 869.562 MB of memory in use
Info: CREATING 936168 COMPUTE OBJECTS
Info: Found 333 unique exclusion lists needing 1076 bytes
Info: Found 333 unique exclusion lists needing 1076 bytes
Info: Found 333 unique exclusion lists needing 1076 bytes
Info: Found 333 unique exclusion lists needing 1076 bytes
Info: Found 333 unique exclusion lists needing 1076 bytes
Info: Found 333 unique exclusion lists needing 1076 bytes
Info: useSync: 0 useProxySync: 0
Info: Startup phase 13 took 0.0602751 s, 894.562 MB of memory in use
Info: Building spanning tree ... send: 1 recv: 0 with branch factor 4
Info: Startup phase 14 took 0.000810862 s, 894.688 MB of memory in use
Info: Startup phase 15 took 7.9155e-05 s, 894.75 MB of memory in use
Info: Finished startup at 9.95401 s, 894.75 MB of memory in use
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 0 754741.3868 2114816.5493 1639005.7811 99729.7591 -82695403.0730 7511796.0004 0.0000 0.0000 13155591.1453 -57419722.4511 297.8758 -70575313.5963 -57390332.6715 297.8758 -17649.9768 2333.4337 203891970.2616 -17649.9768 2333.4337
LDB: ============= START OF LOAD BALANCING ============== 10.2469
LDB: ============== END OF LOAD BALANCING =============== 10.2476
Info: useSync: 0 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 10.2574
LDB: ============= START OF LOAD BALANCING ============== 11.0185
LDB: Largest compute -1 load 0.000000 is 0.0% of average load 0.550646
LDB: Average compute 0.000000 is 0.0% of average load 0.550646
LDB: ============== END OF LOAD BALANCING =============== 11.0366
Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4
Info: useSync: 0 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 11.2438
Info: Initial time: 1680 CPUs 0.00968365 s/step 0.112079 days/ns 1728.25 MB memory
TIMING: 100 CPU: 1.37523, 0.0120007/step Wall: 1.38114, 0.0120476/step, 0.0163981 hours remaining, 1729.937500 MB of memory in use.
ENERGY: 100 766191.9036 2113373.8451 1640024.1081 99702.2758 -80462892.0061 5724133.1787 0.0000 0.0000 12805217.5832 -57314249.1117 289.9425 -70119466.6948 -57284483.5791 291.2203 -19458.8593 -364.4559 207839022.2052 81.3861 73.5021
LDB: ============= START OF LOAD BALANCING ============== 11.4344
LDB: ============== END OF LOAD BALANCING =============== 11.435
Info: useSync: 0 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 11.4464
LDB: ============= START OF LOAD BALANCING ============== 12.2035
LDB: Largest compute -1 load 0.000000 is 0.0% of average load 0.550062
LDB: Average compute 0.000000 is 0.0% of average load 0.550062
LDB: TIME 12.223 LOAD: AVG 0.550055 MAX 0.699713 PROXIES: TOTAL 93734 MAXPE 68 MAXPATCH 7 None MEM: 1748.81 MB
LDB: TIME 12.2234 LOAD: AVG 0.550055 MAX 0.699713 PROXIES: TOTAL 93734 MAXPE 68 MAXPATCH 7 TorusLB MEM: 1750.25 MB
LDB: ============== END OF LOAD BALANCING =============== 12.2314
Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4
Info: useSync: 0 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 12.3932
Info: Initial time: 1680 CPUs 0.00946821 s/step 0.109586 days/ns 1753.62 MB memory
TIMING: 200 CPU: 2.51834, 0.0114311/step Wall: 2.53029, 0.0114915/step, 0.015322 hours remaining, 1753.625000 MB of memory in use.
ENERGY: 200 766853.0535 2111632.7394 1637213.9559 100680.4410 -80576220.8967 5932524.2141 0.0000 0.0000 12836180.0575 -57191136.4353 290.6435 -70027316.4929 -57162517.1629 291.0255 -19138.9959 41.2874 207097087.4241 -51.7615 -49.5375
LDB: ============= START OF LOAD BALANCING ============== 13.3371
LDB: Largest compute -1 load 0.000000 is 0.0% of average load 0.687013
LDB: Average compute 0.000000 is 0.0% of average load 0.687013
LDB: TIME 13.3562 LOAD: AVG 0.687004 MAX 0.878611 PROXIES: TOTAL 93734 MAXPE 68 MAXPATCH 7 None MEM: 1756.81 MB
LDB: TIME 13.3569 LOAD: AVG 0.687004 MAX 0.878611 PROXIES: TOTAL 93734 MAXPE 68 MAXPATCH 7 RefineTorusLB MEM: 1757 MB
LDB: ============== END OF LOAD BALANCING =============== 13.3644
Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4
Info: useSync: 0 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 13.5223
Info: Initial time: 1680 CPUs 0.00942996 s/step 0.109143 days/ns 1759.56 MB memoryqqqqqqqqq
TIMING: 300 CPU: 3.641, 0.0112266/step Wall: 3.65891, 0.0112862/step, 0.0147347 hours remaining, 1759.562500 MB of memory in use.
ENERGY: 300 767064.4342 2112834.4200 1637103.1208 100506.6720 -80444897.9585 5861796.8292 0.0000 0.0000 12868164.1571 -57097428.3253 291.3677 -69965592.4824 -57068821.7818 291.8299 -19166.4396 -8.8930 207009419.8837 17.6292 17.9476
LDB: ============= START OF LOAD BALANCING ============== 14.4659
LDB: Largest compute -1 load 0.000000 is 0.0% of average load 0.686774
LDB: Average compute 0.000000 is 0.0% of average load 0.686774
LDB: TIME 14.4847 LOAD: AVG 0.686766 MAX 0.874307 PROXIES: TOTAL 93734 MAXPE 68 MAXPATCH 7 None MEM: 1763.5 MB
LDB: TIME 14.4854 LOAD: AVG 0.686766 MAX 0.874307 PROXIES: TOTAL 93734 MAXPE 68 MAXPATCH 7 RefineTorusLB MEM: 1763.81 MB
LDB: ============== END OF LOAD BALANCING =============== 14.4928
Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4
Info: useSync: 0 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 14.6468
Info: Benchmark time: 1680 CPUs 0.00943086 s/step 0.109153 days/ns 1765.38 MB memory
TIMING: 400 CPU: 4.75932, 0.0111832/step Wall: 4.78324, 0.0112434/step, 0.0143665 hours remaining, 1765.375000 MB of memory in use.
ENERGY: 400 762578.3277 2109843.9371 1637496.3620 101085.8830 -80362075.8975 5849308.7986 0.0000 0.0000 12886933.0173 -57014829.5718 291.7927 -69901762.5891 -56986521.4825 292.2562 -19113.6316 21.6559 206965494.4315 -2.7025 -2.8430
Info: Benchmark time: 1680 CPUs 0.00939636 s/step 0.108754 days/ns 1765.81 MB memory
TIMING: 500 CPU: 5.6944, 0.00935078/step Wall: 5.72311, 0.00939865/step, 0.0117483 hours remaining, 1765.812500 MB of memory in use.
ENERGY: 500 765394.3055 2109397.5457 1636761.4358 100747.3142 -80285461.4800 5826492.9938 0.0000 0.0000 12906984.6247 -56939683.2603 292.2467 -69846667.8851 -56911467.7428 292.7659 -19113.9391 0.9470 206945564.8455 -0.1555 -0.3844
Info: Benchmark time: 1680 CPUs 0.00940056 s/step 0.108803 days/ns 1767.5 MB memory
TIMING: 600 CPU: 6.6302, 0.00935794/step Wall: 6.6634, 0.0094029/step, 0.0114924 hours remaining, 1767.562500 MB of memory in use.
ENERGY: 600 765134.1101 2110533.3591 1637535.3896 100539.5399 -80211177.4758 5800509.8586 0.0000 0.0000 12924604.4112 -56872320.8074 292.6457 -69796925.2186 -56843855.8647 293.1587 -19079.2182 10.1356 206970905.1763 4.1530 3.8710
Info: Benchmark time: 1680 CPUs 0.00941816 s/step 0.109006 days/ns 1767.56 MB memory
TIMING: 700 CPU: 7.56883, 0.00938635/step Wall: 7.60548, 0.00942077/step, 0.0112526 hours remaining, 1767.562500 MB of memory in use.
ENERGY: 700 764938.5079 2110191.5772 1637926.6999 101153.4468 -80144573.9576 5782024.7718 0.0000 0.0000 12942529.2893 -56805809.6648 293.0516 -69748338.9541 -56777379.5629 293.5372 -19060.6103 7.9936 206986606.6382 1.0597 0.8037
Info: Benchmark time: 1680 CPUs 0.00939703 s/step 0.108762 days/ns 1767.56 MB memory
TIMING: 800 CPU: 8.50409, 0.00935262/step Wall: 8.54542, 0.00939943/step, 0.010966 hours remaining, 1767.562500 MB of memory in use.
ENERGY: 800 766189.9893 2109648.1504 1637086.3170 101365.7876 -80093674.9241 5769408.0355 0.0000 0.0000 12956642.1484 -56753334.4959 293.3711 -69709976.6443 -56724866.7373 293.9278 -19043.0322 9.3735 206993089.4810 -0.5763 -0.7858
Info: Benchmark time: 1680 CPUs 0.00940438 s/step 0.108847 days/ns 1770.94 MB memory
TIMING: 900 CPU: 9.44006, 0.00935969/step Wall: 9.48614, 0.00940721/step, 0.0107138 hours remaining, 1770.937500 MB of memory in use.
ENERGY: 900 764031.5793 2109899.9227 1637957.8621 100744.0138 -80032078.1637 5749989.0804 0.0000 0.0000 12969186.4205 -56700269.2849 293.6551 -69669455.7054 -56671561.5499 294.2467 -19026.8673 4.9487 207028260.9452 2.6150 2.3552
TIMING: 1000 CPU: 10.3705, 0.00930461/step Wall: 10.4249, 0.00938746/step, 0.0104305 hours remaining, 1771.500000 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: 1000 765799.8356 2111054.5018 1637851.8929 101148.4603 -79988471.5534 5733076.0383 0.0000 0.0000 12985427.4125 -56654113.4120 294.0229 -69639540.8244 -56625514.3890 294.5732 -19036.1310 -16.6767 207032471.9489 0.8684 0.6682
TIMING: 1100 CPU: 11.3073, 0.00936775/step Wall: 11.3646, 0.00939705/step, 0.0101801 hours remaining, 1771.500000 MB of memory in use.
ENERGY: 1100 765417.6901 2111138.9585 1637821.4286 101033.7528 -79940517.9509 5719045.8382 0.0000 0.0000 12995265.8663 -56610794.4164 294.2456 -69606060.2828 -56581993.1310 294.8008 -19018.3846 -15.4223 207049899.5090 1.2118 1.0343
TIMING: 1200 CPU: 12.2428, 0.00935515/step Wall: 12.3039, 0.00939358/step, 0.00991545 hours remaining, 1771.500000 MB of memory in use.
ENERGY: 1200 765794.8763 2109917.9940 1637677.4105 100998.1607 -79909289.7109 5718167.8706 0.0000 0.0000 13007761.7857 -56568971.6131 294.5286 -69576733.3988 -56539969.8604 295.0477 -18995.1687 -0.5820 207041496.5074 0.5100 0.3908
TIMING: 1300 CPU: 13.1791, 0.00936316/step Wall: 13.243, 0.00939073/step, 0.00965158 hours remaining, 1772.562500 MB of memory in use.
ENERGY: 1300 764040.4000 2109269.1592 1637947.1626 101000.9636 -79874046.7459 5708374.3064 0.0000 0.0000 13015477.9770 -56537936.7772 294.7033 -69553414.7542 -56509213.2902 295.3300 -18971.9443 10.5173 207047748.8789 2.1312 1.9668
TIMING: 1400 CPU: 14.1165, 0.00937321/step Wall: 14.1831, 0.00940034/step, 0.00940034 hours remaining, 1772.562500 MB of memory in use.
ENERGY: 1400 763971.4622 2109352.4334 1637957.0881 101086.3607 -79828224.8899 5690456.3395 0.0000 0.0000 13021535.2442 -56503865.9618 294.8404 -69525401.2060 -56475018.9821 295.4697 -18986.7216 -22.8998 207095897.0556 1.7286 1.5022
TIMING: 1500 CPU: 15.0536, 0.00937158/step Wall: 15.1251, 0.00942091/step, 0.00915922 hours remaining, 1772.562500 MB of memory in use.
ENERGY: 1500 764199.0365 2108439.8764 1637329.6568 100830.0743 -79804002.4528 5689326.7068 0.0000 0.0000 13028034.1674 -56475842.9347 294.9876 -69503877.1021 -56447112.1623 295.6648 -18947.4065 7.6981 207097970.5333 1.6654 1.5584
TIMING: 1600 CPU: 15.9893, 0.00935698/step Wall: 16.0654, 0.00940297/step, 0.00888058 hours remaining, 1772.562500 MB of memory in use.
ENERGY: 1600 764035.6381 2110425.7934 1637984.5673 101184.0104 -79778775.0047 5681233.0777 0.0000 0.0000 13036108.4277 -56447803.4901 295.1704 -69483911.9178 -56418991.5905 295.8767 -18947.0382 -0.4796 207112392.6779 2.0741 1.9769
TIMING: 1700 CPU: 16.9264, 0.00937062/step Wall: 17.0046, 0.00939108/step, 0.00860849 hours remaining, 1772.562500 MB of memory in use.
ENERGY: 1700 762997.6073 2110046.9655 1637129.8651 101217.4564 -79744011.3228 5667001.9107 0.0000 0.0000 13042372.4977 -56423245.0202 295.3123 -69465617.5179 -56394643.0140 296.0162 -18939.8467 -5.5908 207140729.3698 2.4803 2.3256
TIMING: 1800 CPU: 17.8628, 0.00936444/step Wall: 17.9444, 0.00939875/step, 0.00835445 hours remaining, 1773.125000 MB of memory in use.
ENERGY: 1800 763889.9196 2108575.7696 1637539.2511 101279.5854 -79732012.6939 5667277.7542 0.0000 0.0000 13052750.1501 -56400700.2640 295.5472 -69453450.4141 -56371825.5116 296.1308 -18930.9299 -1.8209 207155095.2190 2.0259 1.9356
TIMING: 1900 CPU: 18.7996, 0.00936748/step Wall: 18.8843, 0.00939838/step, 0.00809305 hours remaining, 1773.375000 MB of memory in use.
ENERGY: 1900 764227.3094 2108843.1587 1637996.0647 101085.7122 -79705817.4339 5657764.8906 0.0000 0.0000 13055072.8074 -56380827.4909 295.5998 -69435900.2984 -56352168.4793 296.2621 -18929.8829 -9.0015 207172915.3135 -0.4384 -0.5302
TIMING: 2000 CPU: 19.7365, 0.00936924/step Wall: 19.8245, 0.00940222/step, 0.00783518 hours remaining, 1773.375000 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: 2000 764039.0658 2109231.0573 1638450.6029 101349.2224 -79687946.9257 5656302.6418 0.0000 0.0000 13059332.8903 -56359241.4452 295.6963 -69418574.3355 -56330366.6502 296.4304 -18925.5785 -11.5757 207184912.6771 2.8061 2.7410
TIMING: 2100 CPU: 20.6739, 0.00937369/step Wall: 20.7667, 0.00942254/step, 0.00759038 hours remaining, 1773.375000 MB of memory in use.
ENERGY: 2100 763273.2996 2109153.8317 1637903.4906 101141.0832 -79672995.8011 5654764.0082 0.0000 0.0000 13067488.7734 -56339271.3145 295.8810 -69406760.0879 -56310492.9170 296.5331 -18905.4478 0.1543 207230871.9149 2.7791 2.6778
TIMING: 2200 CPU: 21.6103, 0.00936417/step Wall: 21.7046, 0.00937842/step, 0.00729433 hours remaining, 1773.625000 MB of memory in use.
ENERGY: 2200 763496.5227 2109096.3140 1637201.1162 100669.2549 -79668446.9647 5658264.6603 0.0000 0.0000 13074188.6068 -56325530.4898 296.0327 -69399719.0966 -56296709.8845 296.6582 -18889.5203 12.6846 207233878.3623 1.9577 1.8782
TIMING: 2300 CPU: 22.5472, 0.00936928/step Wall: 22.6423, 0.00937683/step, 0.00703262 hours remaining, 1773.625000 MB of memory in use.
ENERGY: 2300 763687.5755 2108182.4369 1637825.8369 101031.9763 -79644139.9821 5645180.3642 0.0000 0.0000 13076713.4570 -56311518.3352 296.0898 -69388231.7923 -56282747.3613 296.7635 -18896.5238 -0.8789 207247258.1358 3.6799 3.6077
TIMING: 2400 CPU: 23.4843, 0.0093714/step Wall: 23.5815, 0.00939191/step, 0.00678305 hours remaining, 1773.625000 MB of memory in use.
ENERGY: 2400 764229.9213 2110553.3865 1638454.3494 101121.3752 -79621484.0562 5637818.1731 0.0000 0.0000 13076662.7063 -56292644.1444 296.0887 -69369306.8507 -56263778.2881 296.8235 -18888.9660 -5.3234 207283272.1460 0.8527 0.6970
TIMING: 2500 CPU: 24.4208, 0.00936424/step Wall: 24.523, 0.00941567/step, 0.00653866 hours remaining, 1773.750000 MB of memory in use.
ENERGY: 2500 764860.1351 2108638.8863 1637751.2166 101270.9368 -79617640.4366 5644595.5586 0.0000 0.0000 13075984.5149 -56284539.1882 296.0733 -69360523.7031 -56255803.2205 296.8942 -18876.1974 6.0946 207291106.9507 1.1736 1.1157
TIMING: 2600 CPU: 25.3497, 0.00928889/step Wall: 25.4598, 0.00936752/step, 0.00624501 hours remaining, 1773.750000 MB of memory in use.
ENERGY: 2600 764113.6266 2108732.9398 1638184.6718 101339.3851 -79599452.9436 5631313.1297 0.0000 0.0000 13079907.0604 -56275862.1303 296.1621 -69355769.1907 -56246968.2441 296.9044 -18891.5046 -19.1690 207340824.7204 0.7021 0.5507
TIMING: 2700 CPU: 26.2893, 0.00939622/step Wall: 26.3988, 0.00939072/step, 0.00599963 hours remaining, 1774.500000 MB of memory in use.
ENERGY: 2700 763041.2271 2108058.5838 1637756.8690 100844.9905 -79597305.2532 5634490.9447 0.0000 0.0000 13087576.2799 -56265536.3582 296.3358 -69353112.6382 -56236334.5091 297.0143 -18876.0855 -1.5461 207324320.0383 2.2590 2.2443
TIMING: 2800 CPU: 27.2311, 0.00941782/step Wall: 27.3399, 0.00941028/step, 0.00575073 hours remaining, 1774.500000 MB of memory in use.
ENERGY: 2800 763878.9863 2109213.7579 1637952.4065 101096.6455 -79591700.7140 5637574.2683 0.0000 0.0000 13086432.2197 -56255552.4298 296.3099 -69341984.6495 -56226912.2211 297.0189 -18869.4659 -0.1030 207347532.9008 -1.1478 -1.2194
TIMING: 2900 CPU: 28.1681, 0.00937076/step Wall: 28.2799, 0.00939987/step, 0.00548326 hours remaining, 1774.625000 MB of memory in use.
ENERGY: 2900 763779.9043 2107711.6904 1637091.9919 101096.7411 -79579425.8805 5631550.0293 0.0000 0.0000 13088342.5154 -56249853.0081 296.3531 -69338195.5235 -56220733.0525 297.0587 -18863.9469 0.4022 207365804.7499 3.5841 3.5093
TIMING: 3000 CPU: 29.095, 0.00926883/step Wall: 29.2162, 0.00936377/step, 0.00520209 hours remaining, 1774.625000 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: 3000 763404.4242 2109335.6477 1637581.7357 100668.7518 -79576407.0482 5632469.6428 0.0000 0.0000 13091188.1967 -56241758.6493 296.4176 -69332946.8460 -56212799.1269 297.0817 -18858.9015 2.6159 207382968.9519 1.7636 1.6899
TIMING: 3100 CPU: 30.1422, 0.010472/step Wall: 30.2662, 0.0105/step, 0.00554168 hours remaining, 1774.625000 MB of memory in use.
ENERGY: 3100 764088.7781 2107639.3138 1637669.4720 101121.6992 -79559317.8557 5629474.4976 0.0000 0.0000 13090942.3257 -56228381.7693 296.4120 -69319324.0949 -56199663.5754 297.1576 -18852.9610 3.9411 207381099.4671 0.4171 0.3564
TIMING: 3200 CPU: 31.0795, 0.00937278/step Wall: 31.2091, 0.00942816/step, 0.00471408 hours remaining, 1774.625000 MB of memory in use.
ENERGY: 3200 762605.1566 2108142.9692 1638563.5265 101223.9541 -79563894.9037 5631210.7726 0.0000 0.0000 13100118.4644 -56222030.0602 296.6198 -69322148.5246 -56192941.6544 297.2434 -18848.2267 9.0818 207386161.6869 2.4205 2.4584
TIMING: 3300 CPU: 32.0183, 0.00938793/step Wall: 32.1482, 0.00939144/step, 0.00443485 hours remaining, 1774.625000 MB of memory in use.
ENERGY: 3300 762967.8721 2108766.6713 1638068.7571 101205.1142 -79549184.8752 5626367.4392 0.0000 0.0000 13094623.7000 -56217185.3213 296.4954 -69311809.0213 -56188305.6924 297.3202 -18847.2767 4.3768 207400769.7875 0.7395 0.6311
TIMING: 3400 CPU: 33.054, 0.0103568/step Wall: 33.186, 0.0103778/step, 0.00461236 hours remaining, 1775.312500 MB of memory in use.
ENERGY: 3400 763949.3539 2108661.2980 1638111.5888 101051.8763 -79548133.4456 5621639.4060 0.0000 0.0000 13105182.8320 -56209537.0907 296.7344 -69314719.9227 -56180581.1719 297.3495 -18855.4157 -3.6231 207404379.7145 0.7786 0.7805
TIMING: 3500 CPU: 33.9909, 0.0093694/step Wall: 34.1238, 0.00937803/step, 0.00390751 hours remaining, 1775.312500 MB of memory in use.
ENERGY: 3500 762978.9270 2108659.1332 1638003.4293 101012.5586 -79530846.9132 5619863.1314 0.0000 0.0000 13098838.1763 -56201491.5573 296.5908 -69300329.7337 -56172449.5319 297.3992 -18850.4409 -3.5796 207421345.3968 1.1879 1.1294
TIMING: 3600 CPU: 34.9374, 0.00946501/step Wall: 35.072, 0.009482/step, 0.00368744 hours remaining, 1775.312500 MB of memory in use.
ENERGY: 3600 761782.3441 2108322.9284 1638251.7302 101193.8971 -79539073.2840 5628397.3338 0.0000 0.0000 13107792.2410 -56193332.8094 296.7935 -69301125.0504 -56164509.9045 297.4377 -18840.0992 6.2008 207420853.9787 0.5186 0.5116
TIMING: 3700 CPU: 35.8743, 0.00936928/step Wall: 36.011, 0.00938984/step, 0.00339078 hours remaining, 1775.312500 MB of memory in use.
ENERGY: 3700 765011.2283 2108140.1633 1638203.4459 100957.8788 -79530886.7817 5621905.7458 0.0000 0.0000 13106687.8036 -56189980.5161 296.7685 -69296668.3197 -56161023.0502 297.5130 -18845.4864 -4.5239 207463201.4752 2.3114 2.1921
TIMING: 3800 CPU: 36.8106, 0.00936291/step Wall: 36.9509, 0.009399/step, 0.003133 hours remaining, 1775.312500 MB of memory in use.
ENERGY: 3800 763275.6109 2107533.6019 1638799.9966 101334.0010 -79528756.4765 5622712.7276 0.0000 0.0000 13107407.9008 -56187692.6378 296.7848 -69295100.5386 -56158892.1252 297.4857 -18833.5949 4.4208 207470298.1309 0.0423 0.0024
TIMING: 3900 CPU: 37.7474, 0.00936829/step Wall: 37.8907, 0.00939804/step, 0.00287162 hours remaining, 1775.312500 MB of memory in use.
ENERGY: 3900 762399.4699 2109038.8224 1638655.2516 100979.7772 -79509453.1872 5616663.7404 0.0000 0.0000 13099941.5260 -56181774.5997 296.6158 -69281716.1257 -56152856.9677 297.4717 -18832.1469 0.6314 207488062.6609 2.2353 2.2149
TIMING: 4000 CPU: 38.6847, 0.00937266/step Wall: 38.8323, 0.00941581/step, 0.0026155 hours remaining, 1775.812500 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: 4000 762957.4120 2108663.7223 1638833.6370 100885.8303 -79517486.7804 5622232.3730 0.0000 0.0000 13110046.1674 -56173867.6384 296.8446 -69283913.8058 -56144772.9233 297.5194 -18829.0745 3.1431 207500317.3174 1.4189 1.4035
TIMING: 4100 CPU: 39.6214, 0.00936694/step Wall: 39.7732, 0.00940902/step, 0.00235225 hours remaining, 1775.812500 MB of memory in use.
ENERGY: 4100 763613.6867 2111547.8301 1638689.8421 100911.2071 -79516452.5093 5619990.2703 0.0000 0.0000 13109896.2148 -56171803.4582 296.8412 -69281699.6731 -56143068.1355 297.5671 -18836.4413 -5.5558 207513432.2815 1.6767 1.6504
TIMING: 4200 CPU: 40.5583, 0.0093692/step Wall: 40.711, 0.00937826/step, 0.00208406 hours remaining, 1776.125000 MB of memory in use.
ENERGY: 4200 762885.6724 2109364.7017 1638974.9406 100664.9914 -79510017.5420 5618135.4851 0.0000 0.0000 13113115.4471 -56166876.3038 296.9141 -69279991.7508 -56137780.2076 297.5724 -18828.8092 0.8135 207512721.3138 -1.2327 -1.2940
LDB: ============= START OF LOAD BALANCING ============== 51.5194
LDB: ============== END OF LOAD BALANCING =============== 51.52
Info: useSync: 0 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 51.5319
TIMING: 4300 CPU: 41.5046, 0.00946318/step Wall: 41.6688, 0.00957829/step, 0.00186245 hours remaining, 1776.125000 MB of memory in use.
ENERGY: 4300 763229.4487 2109890.7451 1638073.3181 101084.0776 -79510998.3902 5623775.7729 0.0000 0.0000 13113629.9616 -56161315.0663 296.9257 -69274945.0279 -56132161.9132 297.6689 -18821.0342 9.3700 207503719.3810 1.8682 1.8840
LDB: ============= START OF LOAD BALANCING ============== 52.4732
LDB: Largest compute -1 load 0.000000 is 0.0% of average load 0.686027
LDB: Average compute 0.000000 is 0.0% of average load 0.686027
LDB: TIME 52.4925 LOAD: AVG 0.686019 MAX 0.874708 PROXIES: TOTAL 93734 MAXPE 68 MAXPATCH 7 None MEM: 1776.94 MB
LDB: TIME 52.4932 LOAD: AVG 0.686019 MAX 0.874708 PROXIES: TOTAL 93734 MAXPE 68 MAXPATCH 7 RefineTorusLB MEM: 1777.75 MB
LDB: ============== END OF LOAD BALANCING =============== 52.5004
Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4
Info: useSync: 0 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 52.6679
TIMING: 4400 CPU: 42.6415, 0.0113686/step Wall: 42.8041, 0.0113533/step, 0.00189222 hours remaining, 1778.000000 MB of memory in use.
ENERGY: 4400 762961.7671 2109563.5741 1637918.7039 101180.9337 -79509338.2485 5621323.7735 0.0000 0.0000 13117542.9979 -56158846.4982 297.0143 -69276389.4961 -56129649.6839 297.7318 -18829.1496 0.0432 207514678.1751 2.1128 2.1147
TIMING: 4500 CPU: 43.5791, 0.00937612/step Wall: 43.7433, 0.00939188/step, 0.00130443 hours remaining, 1778.000000 MB of memory in use.
ENERGY: 4500 761854.4346 2110884.3674 1638051.4099 101080.0084 -79499453.5092 5615055.1590 0.0000 0.0000 13114624.4649 -56157903.6651 296.9482 -69272528.1300 -56128801.8706 297.6796 -18826.9463 -0.5736 207524141.3765 1.3721 1.3224
TIMING: 4600 CPU: 44.5163, 0.00937195/step Wall: 44.6874, 0.00944089/step, 0.00104899 hours remaining, 1778.000000 MB of memory in use.
ENERGY: 4600 762515.6332 2108858.7627 1638217.6485 100898.7995 -79501203.2105 5616757.3632 0.0000 0.0000 13121941.4903 -56152013.5132 297.1139 -69273955.0034 -56123017.0708 297.7305 -18827.1251 -1.2733 207533621.5779 1.4165 1.4321
TIMING: 4700 CPU: 45.4557, 0.00939397/step Wall: 45.6287, 0.00941249/step, 0.000784374 hours remaining, 1778.000000 MB of memory in use.
ENERGY: 4700 762713.5584 2109407.3806 1639011.3877 101158.9272 -79495039.1339 5616771.0337 0.0000 0.0000 13115054.6958 -56150922.1506 296.9580 -69265976.8464 -56121773.5194 297.7544 -18810.6931 12.4235 207539230.1136 -0.4054 -0.4541
TIMING: 4800 CPU: 46.401, 0.00945288/step Wall: 46.57, 0.00941376/step, 0.000522987 hours remaining, 1778.000000 MB of memory in use.
ENERGY: 4800 764227.7055 2108243.7087 1639618.6997 101121.2954 -79495298.1424 5614810.0406 0.0000 0.0000 13119692.8634 -56147583.8291 297.0630 -69267276.6924 -56118635.3781 297.7323 -18820.6371 1.9681 207539577.9108 3.0123 3.0069
TIMING: 4900 CPU: 47.3378, 0.00936841/step Wall: 47.5117, 0.00941626/step, 0.000261563 hours remaining, 1778.000000 MB of memory in use.
ENERGY: 4900 763095.3976 2109578.3675 1639191.7206 101296.4065 -79489750.0875 5617048.7555 0.0000 0.0000 13119554.6913 -56139984.7485 297.0599 -69259539.4398 -56110849.5621 297.7541 -18816.3456 3.5403 207568535.9737 1.3559 1.3394
TIMING: 5000 CPU: 48.3757, 0.0103787/step Wall: 48.5502, 0.0103855/step, 0 hours remaining, 1778.312500 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: 5000 763124.2926 2107828.9293 1639375.5547 100947.0655 -79480224.7289 5615363.5411 0.0000 0.0000 13117303.4864 -56136281.8592 297.0089 -69253585.3456 -56107395.4939 297.7902 -18811.0977 4.2169 207577352.6548 1.7072 1.6219
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 5000
WRITING COORDINATES TO OUTPUT FILE AT STEP 5000
WRITING VELOCITIES TO OUTPUT FILE AT STEP 5000
The last position output (seq=-2) takes 4.930 seconds(file I/O: 4.930 secs), 1778.312 MB of memory in use
The last velocity output (seq=-2) takes 5.620 seconds(file I/O: 1.114 secs), 1778.312 MB of memory in use
====================================================
64.363106WallClock: CPUTime: 59.874550 Memory: 1778.312500 MB
End of program