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