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update log files for granregion hugoniostat and indent examples
2018-11-29 10:21:54 +08:00
LAMMPS (27 Nov 2018)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
using 1 OpenMP thread(s) per MPI task
# pouring spheres into container box
units lj
atom_style sphere
boundary f f f
dimension 3
comm_modify vel yes
region box block -10 10 -10 10 -10 10 units box
create_box 2 box
Created orthogonal box = (-10 -10 -10) to (10 10 10)
1 by 2 by 2 MPI processor grid
pair_style hybrid gran/hooke 4000.0 NULL 100.0 NULL 0.5 1
pair_coeff * * gran/hooke
region container block -6 6 -6 6 -6 6 units box
fix container all wall/gran/region hooke/history 4000.0 NULL 100.0 NULL 0.5 1 region container
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
fix 2 all nve/sphere
fix 3 all gravity 1.0 vector 0 0 -1
region slab block -2 2 -2 2 -2 2 units box
fix ins all pour 100 2 4767548 vol 0.4 10 diam one 1.0 region slab ignore
Particle insertion: 48 every 566 steps, 100 by step 1133
timestep 0.005
compute 1 all temp
compute_modify 1 dynamic/dof yes
compute 2 all temp/sphere
compute_modify 2 dynamic/dof yes
thermo 100
thermo_style custom step atoms temp c_1 c_2 press
thermo_modify lost ignore
compute_modify thermo_temp dynamic/dof yes
#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
#dump_modify 2 pad 5
run 5000
Neighbor list info ...
update every 1 steps, delay 0 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 1.3
ghost atom cutoff = 1.3
binsize = 0.65, bins = 31 31 31
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair gran/hooke, perpetual
attributes: half, newton on, size
pair build: half/size/bin/newton
stencil: half/bin/3d/newton
bin: standard
Per MPI rank memory allocation (min/avg/max) = 0.4834 | 0.4834 | 0.4834 Mbytes
Step Atoms Temp c_1 c_2 Press
0 0 0 0 0 0
100 21 0.54270729 0.54270729 0.26473526 0.0013567682
200 21 0.87606961 0.87606961 0.42735103 0.002190174
300 21 1.1428374 1.1428374 0.55748167 0.0028570936
400 21 1.3543103 1.3543103 0.66829516 0.0033857758
500 21 1.0677786 1.0677786 0.53582407 0.0045048164
600 56 0.6744286 0.6744286 0.3502938 0.0047464584
700 56 0.75569283 0.75569283 0.39779462 0.0051953882
800 56 0.61597505 0.61597505 0.32943642 0.0086022783
900 56 0.65260802 0.65260802 0.34474044 0.0059298996
1000 56 0.51624952 0.51624952 0.28326898 0.0067827337
1100 56 0.46050076 0.46050076 0.25656319 0.0061891094
1200 81 0.39112346 0.39112346 0.21690172 0.0086559316
1300 81 0.33302617 0.33302617 0.19109398 0.0033381104
1400 81 0.3933533 0.3933533 0.21221692 0.004135078
1500 81 0.35495297 0.35495297 0.19925984 0.0037374946
1600 81 0.34150606 0.34150606 0.19025811 0.0053492835
1700 100 0.2561647 0.2561647 0.14186278 0.0090767057
1800 100 0.21124278 0.21124278 0.12154878 0.002854576
1900 100 0.21793955 0.21793955 0.12173867 0.0029049175
2000 100 0.25530858 0.25530858 0.13892272 0.0035528022
2100 100 0.24671805 0.24671805 0.13687782 0.0076812357
2200 100 0.22465212 0.22465212 0.12513612 0.0042526344
2300 100 0.19362805 0.19362805 0.10914275 0.0061175383
2400 100 0.061626039 0.061626039 0.045905953 0.0010393593
2500 100 0.052690575 0.052690575 0.038879745 0.0018543933
2600 100 0.037256691 0.037256691 0.02833916 0.0027683815
2700 100 0.033416362 0.033416362 0.024551243 0.00046725913
2800 100 0.019617758 0.019617758 0.014619416 0.00064550316
2900 100 0.012313874 0.012313874 0.0098188153 0.00033470181
3000 100 0.010948455 0.010948455 0.0087981878 0.00034401243
3100 100 0.009359431 0.009359431 0.0073642412 0.00045497356
3200 100 0.008129885 0.008129885 0.0061460516 0.00029944201
3300 100 0.0050682533 0.0050682533 0.0042692811 0.00026543293
3400 100 0.0031539312 0.0031539312 0.0027256511 0.00012475748
3500 100 0.0023621311 0.0023621311 0.0021691817 0.0001186392
3600 100 0.0018305354 0.0018305354 0.0018004128 0.00015926282
3700 100 0.0016522492 0.0016522492 0.0017231072 0.0002193159
3800 100 0.0011715102 0.0011715102 0.0012739973 0.0001747857
3900 100 0.0010607606 0.0010607606 0.0010974725 0.00012476088
4000 100 0.00087570802 0.00087570802 0.00095828935 6.5544103e-05
4100 100 0.00078598203 0.00078598203 0.00088068743 9.4560761e-05
4200 100 0.00088317454 0.00088317454 0.00092784605 8.1108122e-05
4300 100 0.0015013254 0.0015013254 0.0012069505 8.8289686e-05
4400 100 0.00070054041 0.00070054041 0.00079451193 5.195712e-05
4500 100 0.00096259073 0.00096259073 0.00091232511 3.4895669e-05
4600 100 0.00056641848 0.00056641848 0.00069083146 3.9657253e-05
4700 100 0.0005455099 0.0005455099 0.00064816699 2.8131762e-05
4800 100 0.00048254366 0.00048254366 0.00057192255 4.7914432e-05
4900 100 0.00037108125 0.00037108125 0.00048035333 6.4711817e-05
5000 100 0.00031290399 0.00031290399 0.00042398478 4.6025975e-05
Loop time of 0.075416 on 4 procs for 5000 steps with 100 atoms
Performance: 28641126.336 tau/day, 66298.904 timesteps/s
93.7% CPU use with 4 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.0022948 | 0.0041364 | 0.0061705 | 2.8 | 5.48
Neigh | 0.0043123 | 0.0057145 | 0.0070784 | 1.8 | 7.58
Comm | 0.014259 | 0.018658 | 0.024313 | 3.3 | 24.74
Output | 0.0011525 | 0.001404 | 0.0015383 | 0.4 | 1.86
Modify | 0.0030508 | 0.014543 | 0.026602 | 9.5 | 19.28
Other | | 0.03096 | | | 41.05
Nlocal: 25 ave 51 max 0 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost: 5.5 ave 12 max 0 min
Histogram: 2 0 0 0 0 0 0 0 1 1
Neighs: 39.75 ave 84 max 0 min
Histogram: 2 0 0 0 0 0 0 0 1 1
Total # of neighbors = 159
Ave neighs/atom = 1.59
Neighbor list builds = 310
Dangerous builds = 0
region container delete
variable theta equal (step-5000)*(4.0*PI/5000)
region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 0 0 1
run 5000
Per MPI rank memory allocation (min/avg/max) = 5.733 | 5.733 | 5.734 Mbytes
Step Atoms Temp c_1 c_2 Press
5000 100 0.00031290399 0.00031290399 0.00042398478 4.4282259e-05
5100 100 0.62661084 0.62661084 0.33840611 0.012020153
5200 100 0.67371678 0.67371678 0.36218522 0.0093514044
5300 100 0.75892331 0.75892331 0.4000747 0.010693252
5400 100 0.86207426 0.86207426 0.44630388 0.013540097
5500 100 0.96205334 0.96205334 0.49432848 0.017375079
5600 100 1.0261194 1.0261194 0.52203912 0.016045333
5700 100 1.0584366 1.0584366 0.53794336 0.018621676
5800 100 1.0881674 1.0881674 0.55300469 0.01930602
5900 100 1.1214233 1.1214233 0.56613492 0.021141141
6000 100 1.1666836 1.1666836 0.58759377 0.017655361
6100 100 1.1785775 1.1785775 0.59365148 0.01829443
6200 100 1.2092305 1.2092305 0.60798809 0.018752443
6300 100 1.2331787 1.2331787 0.62003386 0.020291021
6400 100 1.2561616 1.2561616 0.63143643 0.019899235
6500 100 1.284432 1.284432 0.6460504 0.02083284
6600 100 1.2678801 1.2678801 0.63882384 0.019456553
6700 100 1.2662641 1.2662641 0.63676836 0.020235578
6800 100 1.2785484 1.2785484 0.64129093 0.020335162
6900 100 1.2916608 1.2916608 0.64764298 0.020154225
7000 100 1.2907774 1.2907774 0.64724849 0.020550885
7100 100 1.3074473 1.3074473 0.65460147 0.020847362
7200 100 1.3124592 1.3124592 0.65641332 0.020897348
7300 100 1.3206191 1.3206191 0.66011491 0.021444077
7400 100 1.3273988 1.3273988 0.66350669 0.02129418
7500 100 1.3343911 1.3343911 0.66707269 0.021337376
7600 100 1.3368998 1.3368998 0.66869327 0.021415901
7700 100 1.330658 1.330658 0.66535295 0.021500761
7800 100 1.330801 1.330801 0.66555123 0.022806058
7900 100 1.3392828 1.3392828 0.66926796 0.02194009
8000 100 1.3432728 1.3432728 0.67142337 0.022393719
8100 100 1.3411612 1.3411612 0.66989302 0.022366895
8200 100 1.3427451 1.3427451 0.67054285 0.021966329
8300 100 1.3418147 1.3418147 0.67023132 0.022513459
8400 100 1.346493 1.346493 0.67247837 0.022705366
8500 100 1.3513958 1.3513958 0.6749092 0.022834077
8600 100 1.3520297 1.3520297 0.67506261 0.023227676
8700 100 1.3517157 1.3517157 0.67485073 0.023043414
8800 100 1.3530071 1.3530071 0.67547212 0.022933766
8900 100 1.3550454 1.3550454 0.67657277 0.022744182
9000 100 1.3554069 1.3554069 0.67673505 0.022802134
9100 100 1.3556675 1.3556675 0.67698335 0.022868449
9200 100 1.3534709 1.3534709 0.67600677 0.022537792
9300 100 1.3525103 1.3525103 0.67569499 0.022687849
9400 100 1.3612673 1.3612673 0.67967213 0.022703588
9500 100 1.3649439 1.3649439 0.68147385 0.023498539
9600 100 1.3629376 1.3629376 0.68063814 0.023515579
9700 100 1.3648924 1.3648924 0.68137104 0.023641856
9800 100 1.3662063 1.3662063 0.68196538 0.023576884
9900 100 1.3689695 1.3689695 0.68326751 0.023572622
10000 100 1.3701139 1.3701139 0.68383343 0.023720885
Loop time of 0.174251 on 4 procs for 5000 steps with 100 atoms
Performance: 12395939.906 tau/day, 28694.305 timesteps/s
96.5% CPU use with 4 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.0024631 | 0.010709 | 0.020461 | 8.0 | 6.15
Neigh | 0.0078361 | 0.012368 | 0.016955 | 4.0 | 7.10
Comm | 0.0059071 | 0.013641 | 0.023547 | 6.6 | 7.83
Output | 0.0011749 | 0.0021775 | 0.0030091 | 1.4 | 1.25
Modify | 0.015055 | 0.055709 | 0.097013 | 17.2 | 31.97
Other | | 0.07965 | | | 45.71
Nlocal: 25 ave 51 max 0 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost: 4.5 ave 10 max 0 min
Histogram: 2 0 0 0 0 0 0 0 1 1
Neighs: 49.25 ave 101 max 0 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Total # of neighbors = 197
Ave neighs/atom = 1.97
Neighbor list builds = 627
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 | 5.733 | 5.734 Mbytes
Step Atoms Temp c_1 c_2 Press
10000 100 1.3701139 1.3701139 0.68383343 0.023895921
10100 100 0.25960098 0.25960098 0.15183967 0.0049554084
10200 100 0.15017576 0.15017576 0.10081112 0.0045433238
10300 100 0.10129671 0.10129671 0.078049099 0.0014012658
10400 100 0.06742425 0.06742425 0.055603816 0.0010184792
10500 100 0.053446366 0.053446366 0.045338293 0.00089291689
10600 100 0.041898231 0.041898231 0.036081995 0.00060703885
10700 100 0.03580041 0.03580041 0.031118724 0.00067731964
10800 100 0.030933755 0.030933755 0.026372348 0.00039362325
10900 100 0.027278004 0.027278004 0.022868898 0.0003680788
11000 100 0.021566952 0.021566952 0.017994879 0.0013056062
11100 100 0.019143625 0.019143625 0.015833865 0.00050998112
11200 100 0.015659868 0.015659868 0.013119379 0.00012755696
11300 100 0.013554605 0.013554605 0.01147808 0.00027393437
11400 100 0.01204033 0.01204033 0.010273026 0.00033430792
11500 100 0.010958991 0.010958991 0.0093924566 0.00049023273
11600 100 0.01012553 0.01012553 0.0084556996 0.00021457333
11700 100 0.0083584131 0.0083584131 0.0071118766 7.7149089e-05
11800 100 0.007044883 0.007044883 0.0058675523 0.00036165381
11900 100 0.0059875106 0.0059875106 0.0050610372 7.4095443e-05
12000 100 0.0045180275 0.0045180275 0.0039006565 0.00014607704
12100 100 0.0036631356 0.0036631356 0.0031154279 7.031064e-05
12200 100 0.0034443424 0.0034443424 0.0029190637 0.00020974475
12300 100 0.0030853504 0.0030853504 0.0026315266 3.4873541e-05
12400 100 0.0025451749 0.0025451749 0.0022290833 0.00041551536
12500 100 0.0021624857 0.0021624857 0.0019127734 2.6760761e-05
12600 100 0.0020637862 0.0020637862 0.0018186641 4.9446655e-05
12700 100 0.0019889538 0.0019889538 0.0017604689 3.326943e-05
12800 100 0.0018706349 0.0018706349 0.0016669237 2.3327318e-05
12900 100 0.0017472824 0.0017472824 0.001579469 8.816765e-05
13000 100 0.0016034824 0.0016034824 0.0014549852 3.5407524e-05
13100 100 0.00151798 0.00151798 0.0013826659 1.8754149e-05
13200 100 0.0013049781 0.0013049781 0.0012137907 0.00015263775
13300 100 0.0012270536 0.0012270536 0.0011590841 4.77636e-06
13400 100 0.0011395128 0.0011395128 0.0010860297 2.5606328e-05
13500 100 0.0010858414 0.0010858414 0.0010486713 5.8563931e-05
13600 100 0.0010474389 0.0010474389 0.001015904 1.4319658e-05
13700 100 0.00099241549 0.00099241549 0.00097825038 1.2281142e-05
13800 100 0.00084449252 0.00084449252 0.00084141963 1.0451215e-05
13900 100 0.00084004792 0.00084004792 0.00083755495 3.7174162e-05
14000 100 0.00082183505 0.00082183505 0.00082027058 1.0170209e-05
14100 100 0.00082377076 0.00082377076 0.00080489795 1.181976e-05
14200 100 0.00076903208 0.00076903208 0.00076216608 4.4590341e-05
14300 100 0.00075173269 0.00075173269 0.00074828209 2.2134371e-05
14400 100 0.00074379148 0.00074379148 0.00074072001 1.5746014e-05
14500 100 0.00072454029 0.00072454029 0.0007174429 8.9830398e-06
14600 100 0.00072372648 0.00072372648 0.00071678769 9.1111512e-06
14700 100 0.00071541587 0.00071541587 0.00070893868 7.8446375e-05
14800 100 0.0006820307 0.0006820307 0.00066675502 8.4401299e-06
14900 100 0.00067050627 0.00067050627 0.00065751846 0.0001228548
15000 100 0.00064977132 0.00064977132 0.00062305247 7.8887775e-06
Loop time of 0.0746691 on 4 procs for 5000 steps with 100 atoms
Performance: 28927619.905 tau/day, 66962.083 timesteps/s
96.6% CPU use with 4 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.0021737 | 0.0042608 | 0.0063519 | 3.2 | 5.71
Neigh | 0.0012126 | 0.0019009 | 0.0026193 | 1.6 | 2.55
Comm | 0.0023425 | 0.0092477 | 0.016876 | 7.2 | 12.38
Output | 0.0010619 | 0.0017995 | 0.0030522 | 1.8 | 2.41
Modify | 0.00097013 | 0.017151 | 0.03415 | 12.3 | 22.97
Other | | 0.04031 | | | 53.98
Nlocal: 25 ave 55 max 0 min
Histogram: 2 0 0 0 0 0 0 0 1 1
Nghost: 3.75 ave 9 max 0 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Neighs: 42.5 ave 88 max 0 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Total # of neighbors = 170
Ave neighs/atom = 1.7
Neighbor list builds = 97
Dangerous builds = 0
region container delete
variable theta equal (step-15000)*(4.0*PI/5000)
region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 1 1 1
run 5000
Per MPI rank memory allocation (min/avg/max) = 5.733 | 5.733 | 5.734 Mbytes
Step Atoms Temp c_1 c_2 Press
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