mirror of https://github.com/lammps/lammps.git
476 lines
26 KiB
Groff
476 lines
26 KiB
Groff
LAMMPS (27 Nov 2018)
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OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
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using 1 OpenMP thread(s) per MPI task
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# pouring spheres into container box
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units lj
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atom_style sphere
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boundary f f f
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dimension 3
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comm_modify vel yes
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region box block -10 10 -10 10 -10 10 units box
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create_box 2 box
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Created orthogonal box = (-10 -10 -10) to (10 10 10)
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1 by 2 by 2 MPI processor grid
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pair_style hybrid gran/hooke 4000.0 NULL 100.0 NULL 0.5 1
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pair_coeff * * gran/hooke
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region container block -6 6 -6 6 -6 6 units box
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fix container all wall/gran/region hooke/history 4000.0 NULL 100.0 NULL 0.5 1 region container
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neighbor 0.3 bin
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neigh_modify delay 0 every 1 check yes
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fix 2 all nve/sphere
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fix 3 all gravity 1.0 vector 0 0 -1
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region slab block -2 2 -2 2 -2 2 units box
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fix ins all pour 100 2 4767548 vol 0.4 10 diam one 1.0 region slab ignore
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Particle insertion: 48 every 566 steps, 100 by step 1133
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timestep 0.005
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compute 1 all temp
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compute_modify 1 dynamic/dof yes
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compute 2 all temp/sphere
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compute_modify 2 dynamic/dof yes
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thermo 100
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thermo_style custom step atoms temp c_1 c_2 press
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thermo_modify lost ignore
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compute_modify thermo_temp dynamic/dof yes
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#dump 2 all image 100 image.*.jpg type type # zoom 1.4 adiam 1.0 box no 0.0 axes yes 0.9 0.03
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#dump_modify 2 pad 5
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run 5000
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Neighbor list info ...
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update every 1 steps, delay 0 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 1.3
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ghost atom cutoff = 1.3
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binsize = 0.65, bins = 31 31 31
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair gran/hooke, perpetual
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attributes: half, newton on, size
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pair build: half/size/bin/newton
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stencil: half/bin/3d/newton
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 0.4834 | 0.4834 | 0.4834 Mbytes
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Step Atoms Temp c_1 c_2 Press
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0 0 0 0 0 0
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100 21 0.54270729 0.54270729 0.26473526 0.0013567682
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200 21 0.87606961 0.87606961 0.42735103 0.002190174
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300 21 1.1428374 1.1428374 0.55748167 0.0028570936
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400 21 1.3543103 1.3543103 0.66829516 0.0033857758
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500 21 1.0677786 1.0677786 0.53582407 0.0045048164
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600 56 0.6744286 0.6744286 0.3502938 0.0047464584
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700 56 0.75569283 0.75569283 0.39779462 0.0051953882
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800 56 0.61597505 0.61597505 0.32943642 0.0086022783
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900 56 0.65260802 0.65260802 0.34474044 0.0059298996
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1000 56 0.51624952 0.51624952 0.28326898 0.0067827337
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1100 56 0.46050076 0.46050076 0.25656319 0.0061891094
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1200 81 0.39112346 0.39112346 0.21690172 0.0086559316
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1300 81 0.33302617 0.33302617 0.19109398 0.0033381104
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1400 81 0.3933533 0.3933533 0.21221692 0.004135078
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1500 81 0.35495297 0.35495297 0.19925984 0.0037374946
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1600 81 0.34150606 0.34150606 0.19025811 0.0053492835
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1700 100 0.2561647 0.2561647 0.14186278 0.0090767057
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1800 100 0.21124278 0.21124278 0.12154878 0.002854576
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1900 100 0.21793955 0.21793955 0.12173867 0.0029049175
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2000 100 0.25530858 0.25530858 0.13892272 0.0035528022
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2100 100 0.24671805 0.24671805 0.13687782 0.0076812357
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2200 100 0.22465212 0.22465212 0.12513612 0.0042526344
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2300 100 0.19362805 0.19362805 0.10914275 0.0061175383
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2400 100 0.061626039 0.061626039 0.045905953 0.0010393593
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2500 100 0.052690575 0.052690575 0.038879745 0.0018543933
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2600 100 0.037256691 0.037256691 0.02833916 0.0027683815
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2700 100 0.033416362 0.033416362 0.024551243 0.00046725913
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2800 100 0.019617758 0.019617758 0.014619416 0.00064550316
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2900 100 0.012313874 0.012313874 0.0098188153 0.00033470181
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3000 100 0.010948455 0.010948455 0.0087981878 0.00034401243
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3100 100 0.009359431 0.009359431 0.0073642412 0.00045497356
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3200 100 0.008129885 0.008129885 0.0061460516 0.00029944201
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3300 100 0.0050682533 0.0050682533 0.0042692811 0.00026543293
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3400 100 0.0031539312 0.0031539312 0.0027256511 0.00012475748
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3500 100 0.0023621311 0.0023621311 0.0021691817 0.0001186392
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3600 100 0.0018305354 0.0018305354 0.0018004128 0.00015926282
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3700 100 0.0016522492 0.0016522492 0.0017231072 0.0002193159
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3800 100 0.0011715102 0.0011715102 0.0012739973 0.0001747857
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3900 100 0.0010607606 0.0010607606 0.0010974725 0.00012476088
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4000 100 0.00087570802 0.00087570802 0.00095828935 6.5544103e-05
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4100 100 0.00078598203 0.00078598203 0.00088068743 9.4560761e-05
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4200 100 0.00088317454 0.00088317454 0.00092784605 8.1108122e-05
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4300 100 0.0015013254 0.0015013254 0.0012069505 8.8289686e-05
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4400 100 0.00070054041 0.00070054041 0.00079451193 5.195712e-05
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4500 100 0.00096259073 0.00096259073 0.00091232511 3.4895669e-05
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4600 100 0.00056641848 0.00056641848 0.00069083146 3.9657253e-05
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4700 100 0.0005455099 0.0005455099 0.00064816699 2.8131762e-05
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4800 100 0.00048254366 0.00048254366 0.00057192255 4.7914432e-05
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4900 100 0.00037108125 0.00037108125 0.00048035333 6.4711817e-05
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5000 100 0.00031290399 0.00031290399 0.00042398478 4.6025975e-05
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Loop time of 0.075416 on 4 procs for 5000 steps with 100 atoms
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Performance: 28641126.336 tau/day, 66298.904 timesteps/s
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93.7% CPU use with 4 MPI tasks x 1 OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0.0022948 | 0.0041364 | 0.0061705 | 2.8 | 5.48
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Neigh | 0.0043123 | 0.0057145 | 0.0070784 | 1.8 | 7.58
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Comm | 0.014259 | 0.018658 | 0.024313 | 3.3 | 24.74
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Output | 0.0011525 | 0.001404 | 0.0015383 | 0.4 | 1.86
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Modify | 0.0030508 | 0.014543 | 0.026602 | 9.5 | 19.28
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Other | | 0.03096 | | | 41.05
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Nlocal: 25 ave 51 max 0 min
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Histogram: 2 0 0 0 0 0 0 0 0 2
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Nghost: 5.5 ave 12 max 0 min
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Histogram: 2 0 0 0 0 0 0 0 1 1
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Neighs: 39.75 ave 84 max 0 min
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Histogram: 2 0 0 0 0 0 0 0 1 1
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Total # of neighbors = 159
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Ave neighs/atom = 1.59
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Neighbor list builds = 310
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Dangerous builds = 0
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region container delete
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variable theta equal (step-5000)*(4.0*PI/5000)
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region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 0 0 1
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run 5000
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Per MPI rank memory allocation (min/avg/max) = 5.733 | 5.733 | 5.734 Mbytes
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Step Atoms Temp c_1 c_2 Press
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5000 100 0.00031290399 0.00031290399 0.00042398478 4.4282259e-05
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5100 100 0.62661084 0.62661084 0.33840611 0.012020153
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5200 100 0.67371678 0.67371678 0.36218522 0.0093514044
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5300 100 0.75892331 0.75892331 0.4000747 0.010693252
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5400 100 0.86207426 0.86207426 0.44630388 0.013540097
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5500 100 0.96205334 0.96205334 0.49432848 0.017375079
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5600 100 1.0261194 1.0261194 0.52203912 0.016045333
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5700 100 1.0584366 1.0584366 0.53794336 0.018621676
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5800 100 1.0881674 1.0881674 0.55300469 0.01930602
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5900 100 1.1214233 1.1214233 0.56613492 0.021141141
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6000 100 1.1666836 1.1666836 0.58759377 0.017655361
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6100 100 1.1785775 1.1785775 0.59365148 0.01829443
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6200 100 1.2092305 1.2092305 0.60798809 0.018752443
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6300 100 1.2331787 1.2331787 0.62003386 0.020291021
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6400 100 1.2561616 1.2561616 0.63143643 0.019899235
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6500 100 1.284432 1.284432 0.6460504 0.02083284
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6600 100 1.2678801 1.2678801 0.63882384 0.019456553
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6700 100 1.2662641 1.2662641 0.63676836 0.020235578
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6800 100 1.2785484 1.2785484 0.64129093 0.020335162
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6900 100 1.2916608 1.2916608 0.64764298 0.020154225
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7000 100 1.2907774 1.2907774 0.64724849 0.020550885
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7100 100 1.3074473 1.3074473 0.65460147 0.020847362
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7200 100 1.3124592 1.3124592 0.65641332 0.020897348
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7300 100 1.3206191 1.3206191 0.66011491 0.021444077
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7400 100 1.3273988 1.3273988 0.66350669 0.02129418
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7500 100 1.3343911 1.3343911 0.66707269 0.021337376
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7600 100 1.3368998 1.3368998 0.66869327 0.021415901
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7700 100 1.330658 1.330658 0.66535295 0.021500761
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7800 100 1.330801 1.330801 0.66555123 0.022806058
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7900 100 1.3392828 1.3392828 0.66926796 0.02194009
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8000 100 1.3432728 1.3432728 0.67142337 0.022393719
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8100 100 1.3411612 1.3411612 0.66989302 0.022366895
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8200 100 1.3427451 1.3427451 0.67054285 0.021966329
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8300 100 1.3418147 1.3418147 0.67023132 0.022513459
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8400 100 1.346493 1.346493 0.67247837 0.022705366
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8500 100 1.3513958 1.3513958 0.6749092 0.022834077
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8600 100 1.3520297 1.3520297 0.67506261 0.023227676
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8700 100 1.3517157 1.3517157 0.67485073 0.023043414
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8800 100 1.3530071 1.3530071 0.67547212 0.022933766
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8900 100 1.3550454 1.3550454 0.67657277 0.022744182
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9000 100 1.3554069 1.3554069 0.67673505 0.022802134
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9100 100 1.3556675 1.3556675 0.67698335 0.022868449
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9200 100 1.3534709 1.3534709 0.67600677 0.022537792
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9300 100 1.3525103 1.3525103 0.67569499 0.022687849
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9400 100 1.3612673 1.3612673 0.67967213 0.022703588
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9500 100 1.3649439 1.3649439 0.68147385 0.023498539
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9600 100 1.3629376 1.3629376 0.68063814 0.023515579
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9700 100 1.3648924 1.3648924 0.68137104 0.023641856
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9800 100 1.3662063 1.3662063 0.68196538 0.023576884
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9900 100 1.3689695 1.3689695 0.68326751 0.023572622
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10000 100 1.3701139 1.3701139 0.68383343 0.023720885
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Loop time of 0.174251 on 4 procs for 5000 steps with 100 atoms
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Performance: 12395939.906 tau/day, 28694.305 timesteps/s
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96.5% CPU use with 4 MPI tasks x 1 OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0.0024631 | 0.010709 | 0.020461 | 8.0 | 6.15
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Neigh | 0.0078361 | 0.012368 | 0.016955 | 4.0 | 7.10
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Comm | 0.0059071 | 0.013641 | 0.023547 | 6.6 | 7.83
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Output | 0.0011749 | 0.0021775 | 0.0030091 | 1.4 | 1.25
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Modify | 0.015055 | 0.055709 | 0.097013 | 17.2 | 31.97
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Other | | 0.07965 | | | 45.71
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Nlocal: 25 ave 51 max 0 min
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Histogram: 2 0 0 0 0 0 0 0 0 2
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Nghost: 4.5 ave 10 max 0 min
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Histogram: 2 0 0 0 0 0 0 0 1 1
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Neighs: 49.25 ave 101 max 0 min
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Histogram: 2 0 0 0 0 0 0 0 0 2
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Total # of neighbors = 197
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Ave neighs/atom = 1.97
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Neighbor list builds = 627
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Dangerous builds = 0
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region container delete
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region container block -6 6 -6 6 -6 6 units box
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run 5000
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Per MPI rank memory allocation (min/avg/max) = 5.733 | 5.733 | 5.734 Mbytes
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Step Atoms Temp c_1 c_2 Press
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10000 100 1.3701139 1.3701139 0.68383343 0.023895921
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10100 100 0.25960098 0.25960098 0.15183967 0.0049554084
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10200 100 0.15017576 0.15017576 0.10081112 0.0045433238
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10300 100 0.10129671 0.10129671 0.078049099 0.0014012658
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10400 100 0.06742425 0.06742425 0.055603816 0.0010184792
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10500 100 0.053446366 0.053446366 0.045338293 0.00089291689
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10600 100 0.041898231 0.041898231 0.036081995 0.00060703885
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10700 100 0.03580041 0.03580041 0.031118724 0.00067731964
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10800 100 0.030933755 0.030933755 0.026372348 0.00039362325
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10900 100 0.027278004 0.027278004 0.022868898 0.0003680788
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11000 100 0.021566952 0.021566952 0.017994879 0.0013056062
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11100 100 0.019143625 0.019143625 0.015833865 0.00050998112
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11200 100 0.015659868 0.015659868 0.013119379 0.00012755696
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11300 100 0.013554605 0.013554605 0.01147808 0.00027393437
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11400 100 0.01204033 0.01204033 0.010273026 0.00033430792
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11500 100 0.010958991 0.010958991 0.0093924566 0.00049023273
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11600 100 0.01012553 0.01012553 0.0084556996 0.00021457333
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11700 100 0.0083584131 0.0083584131 0.0071118766 7.7149089e-05
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11800 100 0.007044883 0.007044883 0.0058675523 0.00036165381
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11900 100 0.0059875106 0.0059875106 0.0050610372 7.4095443e-05
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12000 100 0.0045180275 0.0045180275 0.0039006565 0.00014607704
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12100 100 0.0036631356 0.0036631356 0.0031154279 7.031064e-05
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12200 100 0.0034443424 0.0034443424 0.0029190637 0.00020974475
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12300 100 0.0030853504 0.0030853504 0.0026315266 3.4873541e-05
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12400 100 0.0025451749 0.0025451749 0.0022290833 0.00041551536
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12500 100 0.0021624857 0.0021624857 0.0019127734 2.6760761e-05
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12600 100 0.0020637862 0.0020637862 0.0018186641 4.9446655e-05
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12700 100 0.0019889538 0.0019889538 0.0017604689 3.326943e-05
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12800 100 0.0018706349 0.0018706349 0.0016669237 2.3327318e-05
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12900 100 0.0017472824 0.0017472824 0.001579469 8.816765e-05
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13000 100 0.0016034824 0.0016034824 0.0014549852 3.5407524e-05
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13100 100 0.00151798 0.00151798 0.0013826659 1.8754149e-05
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13200 100 0.0013049781 0.0013049781 0.0012137907 0.00015263775
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13300 100 0.0012270536 0.0012270536 0.0011590841 4.77636e-06
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13400 100 0.0011395128 0.0011395128 0.0010860297 2.5606328e-05
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13500 100 0.0010858414 0.0010858414 0.0010486713 5.8563931e-05
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13600 100 0.0010474389 0.0010474389 0.001015904 1.4319658e-05
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13700 100 0.00099241549 0.00099241549 0.00097825038 1.2281142e-05
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13800 100 0.00084449252 0.00084449252 0.00084141963 1.0451215e-05
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13900 100 0.00084004792 0.00084004792 0.00083755495 3.7174162e-05
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14000 100 0.00082183505 0.00082183505 0.00082027058 1.0170209e-05
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14100 100 0.00082377076 0.00082377076 0.00080489795 1.181976e-05
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14200 100 0.00076903208 0.00076903208 0.00076216608 4.4590341e-05
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14300 100 0.00075173269 0.00075173269 0.00074828209 2.2134371e-05
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14400 100 0.00074379148 0.00074379148 0.00074072001 1.5746014e-05
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14500 100 0.00072454029 0.00072454029 0.0007174429 8.9830398e-06
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14600 100 0.00072372648 0.00072372648 0.00071678769 9.1111512e-06
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14700 100 0.00071541587 0.00071541587 0.00070893868 7.8446375e-05
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14800 100 0.0006820307 0.0006820307 0.00066675502 8.4401299e-06
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14900 100 0.00067050627 0.00067050627 0.00065751846 0.0001228548
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15000 100 0.00064977132 0.00064977132 0.00062305247 7.8887775e-06
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Loop time of 0.0746691 on 4 procs for 5000 steps with 100 atoms
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Performance: 28927619.905 tau/day, 66962.083 timesteps/s
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96.6% CPU use with 4 MPI tasks x 1 OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0.0021737 | 0.0042608 | 0.0063519 | 3.2 | 5.71
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Neigh | 0.0012126 | 0.0019009 | 0.0026193 | 1.6 | 2.55
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Comm | 0.0023425 | 0.0092477 | 0.016876 | 7.2 | 12.38
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Output | 0.0010619 | 0.0017995 | 0.0030522 | 1.8 | 2.41
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Modify | 0.00097013 | 0.017151 | 0.03415 | 12.3 | 22.97
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Other | | 0.04031 | | | 53.98
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Nlocal: 25 ave 55 max 0 min
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Histogram: 2 0 0 0 0 0 0 0 1 1
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Nghost: 3.75 ave 9 max 0 min
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Histogram: 2 0 0 0 0 0 1 0 0 1
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Neighs: 42.5 ave 88 max 0 min
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Histogram: 2 0 0 0 0 0 0 0 0 2
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Total # of neighbors = 170
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Ave neighs/atom = 1.7
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Neighbor list builds = 97
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Dangerous builds = 0
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region container delete
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variable theta equal (step-15000)*(4.0*PI/5000)
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region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 1 1 1
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run 5000
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Per MPI rank memory allocation (min/avg/max) = 5.733 | 5.733 | 5.734 Mbytes
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Step Atoms Temp c_1 c_2 Press
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15000 100 0.00064977132 0.00064977132 0.00062305247 7.9405607e-06
|
|
15100 100 1.0123899 1.0123899 0.66185504 0.014587215
|
|
15200 100 1.0332828 1.0332828 0.67443308 0.014002815
|
|
15300 100 1.0804076 1.0804076 0.72450056 0.016985272
|
|
15400 100 1.2868163 1.2868163 0.8708132 0.022190597
|
|
15500 100 1.5180471 1.5180471 0.99613124 0.026761866
|
|
15600 100 1.5422016 1.5422016 1.0021746 0.024490139
|
|
15700 100 1.7142241 1.7142241 1.0611146 0.0301368
|
|
15800 100 1.8747057 1.8747057 1.1207858 0.027612699
|
|
15900 100 1.9294819 1.9294819 1.1289025 0.027270228
|
|
16000 100 1.953275 1.953275 1.1264475 0.031568811
|
|
16100 100 2.0434228 2.0434228 1.1665365 0.026358952
|
|
16200 100 2.2129393 2.2129393 1.2448327 0.029613382
|
|
16300 100 2.2558224 2.2558224 1.2373264 0.028306021
|
|
16400 100 2.367398 2.367398 1.293448 0.029659303
|
|
16500 100 2.4221549 2.4221549 1.3198966 0.032541712
|
|
16600 100 2.510283 2.510283 1.3618001 0.034740544
|
|
16700 100 2.6776293 2.6776293 1.4508262 0.034556341
|
|
16800 100 2.8095841 2.8095841 1.5190571 0.035183782
|
|
16900 100 2.8485646 2.8485646 1.5344387 0.037153336
|
|
17000 100 3.0298285 3.0298285 1.6321623 0.040745906
|
|
17100 100 3.0218054 3.0218054 1.6187189 0.042082135
|
|
17200 100 3.1981705 3.1981705 1.7090597 0.041770208
|
|
17300 100 3.3178559 3.3178559 1.7723201 0.044604756
|
|
17400 100 3.3940903 3.3940903 1.8229846 0.049231759
|
|
17500 100 3.3274817 3.3274817 1.7870996 0.051649102
|
|
17600 100 3.3204358 3.3204358 1.791527 0.043875639
|
|
17700 100 3.2185649 3.2185649 1.7480866 0.049941218
|
|
17800 100 3.2507826 3.2507826 1.7727758 0.048622479
|
|
17900 100 3.2432767 3.2432767 1.7796296 0.044343902
|
|
18000 100 3.0841272 3.0841272 1.6978832 0.045344433
|
|
18100 100 3.0953909 3.0953909 1.699898 0.040070963
|
|
18200 100 3.1405704 3.1405704 1.7316463 0.042528194
|
|
18300 100 3.1904871 3.1904871 1.7555188 0.041141165
|
|
18400 100 3.3256779 3.3256779 1.8243767 0.043908318
|
|
18500 100 3.5161823 3.5161823 1.9150861 0.045165166
|
|
18600 100 3.5668273 3.5668273 1.9217975 0.048127705
|
|
18700 100 3.6648305 3.6648305 1.9685241 0.051205352
|
|
18800 100 3.9000502 3.9000502 2.0886668 0.05262835
|
|
18900 100 4.0217758 4.0217758 2.1465498 0.054502839
|
|
19000 100 3.8431174 3.8431174 2.0581611 0.054852333
|
|
19100 100 4.1721454 4.1721454 2.2221193 0.053831555
|
|
19200 100 3.9061181 3.9061181 2.096323 0.058077678
|
|
19300 100 4.0191085 4.0191085 2.1408069 0.05475437
|
|
19400 100 3.8840871 3.8840871 2.0887677 0.061905092
|
|
19500 100 3.8388062 3.8388062 2.0567095 0.051076414
|
|
19600 100 3.6331742 3.6331742 1.9574769 0.04748008
|
|
19700 100 3.6996954 3.6996954 1.9887285 0.053305043
|
|
19800 100 3.8649872 3.8649872 2.0827424 0.060484008
|
|
19900 100 3.8305733 3.8305733 2.0700281 0.052926584
|
|
20000 100 3.7948463 3.7948463 2.0657301 0.048516953
|
|
Loop time of 0.156359 on 4 procs for 5000 steps with 100 atoms
|
|
|
|
Performance: 13814330.011 tau/day, 31977.616 timesteps/s
|
|
94.9% CPU use with 4 MPI tasks x 1 OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 0.0040646 | 0.0058124 | 0.0074518 | 1.6 | 3.72
|
|
Neigh | 0.014813 | 0.018389 | 0.020829 | 1.6 | 11.76
|
|
Comm | 0.031892 | 0.034103 | 0.036658 | 1.0 | 21.81
|
|
Output | 0.0013497 | 0.0019822 | 0.003484 | 2.0 | 1.27
|
|
Modify | 0.031006 | 0.046878 | 0.056364 | 4.5 | 29.98
|
|
Other | | 0.0492 | | | 31.46
|
|
|
|
Nlocal: 25 ave 37 max 10 min
|
|
Histogram: 1 0 0 0 0 1 0 1 0 1
|
|
Nghost: 3.75 ave 6 max 2 min
|
|
Histogram: 1 0 1 0 0 1 0 0 0 1
|
|
Neighs: 36.25 ave 57 max 9 min
|
|
Histogram: 1 0 0 0 0 0 2 0 0 1
|
|
|
|
Total # of neighbors = 145
|
|
Ave neighs/atom = 1.45
|
|
Neighbor list builds = 921
|
|
Dangerous builds = 0
|
|
|
|
region container delete
|
|
region container block -6 6 -6 6 -6 6 units box
|
|
run 5000
|
|
Per MPI rank memory allocation (min/avg/max) = 5.733 | 5.734 | 5.734 Mbytes
|
|
Step Atoms Temp c_1 c_2 Press
|
|
20000 100 3.7948463 3.7948463 2.0657301 0.048381317
|
|
20100 100 1.1359931 1.1359931 0.70170151 0.015300556
|
|
20200 100 0.87354617 0.87354617 0.55969299 0.012181983
|
|
20300 100 0.84424484 0.84424484 0.52849351 0.017724782
|
|
20400 100 0.82422562 0.82422562 0.50175766 0.0098154181
|
|
20500 100 0.83731289 0.83731289 0.49814627 0.010465327
|
|
20600 100 0.93125924 0.93125924 0.53803834 0.011624902
|
|
20700 100 1.0810919 1.0810919 0.60974741 0.01425935
|
|
20800 100 1.0646343 1.0646343 0.60037545 0.013418132
|
|
20900 100 1.0608055 1.0608055 0.58353908 0.015119612
|
|
21000 100 0.68173094 0.68173094 0.3941588 0.0099947535
|
|
21100 100 0.35407592 0.35407592 0.21306735 0.0043859494
|
|
21200 100 0.19247432 0.19247432 0.12989264 0.0031808422
|
|
21300 100 0.13493768 0.13493768 0.093987634 0.0025990872
|
|
21400 100 0.085735857 0.085735857 0.062091707 0.001434207
|
|
21500 100 0.074307566 0.074307566 0.05224051 0.0022163094
|
|
21600 100 0.069932382 0.069932382 0.045388838 0.0020296572
|
|
21700 100 0.041749712 0.041749712 0.031422931 0.001211155
|
|
21800 100 0.03378055 0.03378055 0.026248846 0.0020596463
|
|
21900 100 0.030608528 0.030608528 0.022868294 0.0016282878
|
|
22000 100 0.025632448 0.025632448 0.019606402 0.0011659657
|
|
22100 100 0.013785062 0.013785062 0.011561769 0.00069006322
|
|
22200 100 0.013139066 0.013139066 0.010559726 0.00038424576
|
|
22300 100 0.01455318 0.01455318 0.011094558 0.00054735929
|
|
22400 100 0.0096885414 0.0096885414 0.008012617 0.00055875777
|
|
22500 100 0.0081193116 0.0081193116 0.006802973 0.00052914932
|
|
22600 100 0.0057159621 0.0057159621 0.0048680253 0.00054864875
|
|
22700 100 0.0052344376 0.0052344376 0.0045511708 0.00026333033
|
|
22800 100 0.0054554177 0.0054554177 0.0045005479 0.0002085972
|
|
22900 100 0.0039455776 0.0039455776 0.0035287888 0.00022514017
|
|
23000 100 0.0042620461 0.0042620461 0.0035747729 0.00020030999
|
|
23100 100 0.0035303095 0.0035303095 0.0031995108 0.00016007298
|
|
23200 100 0.0029747457 0.0029747457 0.0027095904 0.00029775807
|
|
23300 100 0.0032404433 0.0032404433 0.002769389 0.00019627995
|
|
23400 100 0.0024965262 0.0024965262 0.0022343473 0.00018870133
|
|
23500 100 0.00251617 0.00251617 0.0022533604 0.0002661237
|
|
23600 100 0.0025923653 0.0025923653 0.0022887204 0.00018475201
|
|
23700 100 0.0023016545 0.0023016545 0.0019829032 0.00014888334
|
|
23800 100 0.0028358441 0.0028358441 0.0021790504 0.00064613131
|
|
23900 100 0.0016682403 0.0016682403 0.0014930521 8.8407075e-05
|
|
24000 100 0.0016341577 0.0016341577 0.0014597606 0.00011262081
|
|
24100 100 0.0015433636 0.0015433636 0.0013981581 8.364568e-05
|
|
24200 100 0.0015033978 0.0015033978 0.0013582013 8.4539006e-05
|
|
24300 100 0.0014513098 0.0014513098 0.0012943981 0.00010546194
|
|
24400 100 0.0013293352 0.0013293352 0.001206366 8.4967509e-05
|
|
24500 100 0.0013732518 0.0013732518 0.001202532 0.00014787559
|
|
24600 100 0.00091890041 0.00091890041 0.00084499923 0.00010080638
|
|
24700 100 0.00083467915 0.00083467915 0.00077071316 5.3934025e-05
|
|
24800 100 0.00080701934 0.00080701934 0.0007477161 5.3982095e-05
|
|
24900 100 0.00080620771 0.00080620771 0.0007471026 5.3581294e-05
|
|
25000 100 0.00080568604 0.00080568604 0.00074625735 5.3574637e-05
|
|
Loop time of 0.0792506 on 4 procs for 5000 steps with 100 atoms
|
|
|
|
Performance: 27255302.560 tau/day, 63090.978 timesteps/s
|
|
95.0% CPU use with 4 MPI tasks x 1 OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 0.0023611 | 0.0047854 | 0.0077851 | 3.4 | 6.04
|
|
Neigh | 0.0042653 | 0.005571 | 0.0067258 | 1.5 | 7.03
|
|
Comm | 0.0077977 | 0.013373 | 0.019515 | 4.4 | 16.87
|
|
Output | 0.0010924 | 0.0017727 | 0.0030222 | 1.8 | 2.24
|
|
Modify | 0.0023608 | 0.015964 | 0.030545 | 10.5 | 20.14
|
|
Other | | 0.03778 | | | 47.68
|
|
|
|
Nlocal: 25 ave 50 max 0 min
|
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
|
Nghost: 5 ave 10 max 0 min
|
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
|
Neighs: 35.75 ave 78 max 0 min
|
|
Histogram: 2 0 0 0 0 0 0 0 1 1
|
|
|
|
Total # of neighbors = 143
|
|
Ave neighs/atom = 1.43
|
|
Neighbor list builds = 287
|
|
Dangerous builds = 0
|
|
Total wall time: 0:00:00
|