LAMMPS (8 Feb 2023) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 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 1 by 1 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 Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule 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 bin: standard Per MPI rank memory allocation (min/avg/max) = 0.5861 | 0.5861 | 0.5861 Mbytes Step Atoms Temp c_1 c_2 Press 0 0 0 0 0 0 WARNING: Fewer insertions than requested (src/GRANULAR/fix_pour.cpp:681) 100 30 0.803783 0.803783 0.39507978 0.0029137134 200 30 1.1967995 1.1967995 0.5882574 0.0043383984 300 30 1.2814686 1.2814686 0.62987441 0.0046453238 400 30 0.82331082 0.82331082 0.41173176 0.0029845017 500 30 0.7708462 0.7708462 0.38777784 0.0043831147 WARNING: Fewer insertions than requested (src/GRANULAR/fix_pour.cpp:681) 600 64 0.51564897 0.51564897 0.26631577 0.0040059368 700 64 0.57239348 0.57239348 0.29566901 0.0045075987 800 64 0.61837087 0.61837087 0.32195387 0.0048123564 900 64 0.53061888 0.53061888 0.28564763 0.0055906552 1000 64 0.496299 0.496299 0.26801572 0.0061169128 1100 64 0.46068308 0.46068308 0.24699057 0.0055717699 WARNING: Fewer insertions than requested (src/GRANULAR/fix_pour.cpp:681) 1200 99 0.39206225 0.39206225 0.21356546 0.0066294211 1300 99 0.38624966 0.38624966 0.21345854 0.0049051051 1400 99 0.35615284 0.35615284 0.19785725 0.0046170772 1500 99 0.31486693 0.31486693 0.17429055 0.0064903432 1600 99 0.26369001 0.26369001 0.15095266 0.0045226847 1700 100 0.1925923 0.1925923 0.11308104 0.007362313 1800 100 0.13724978 0.13724978 0.083276845 0.0058136373 1900 100 0.077212636 0.077212636 0.053159386 0.0016509598 2000 100 0.065294031 0.065294031 0.04372752 0.0020346467 2100 100 0.057431398 0.057431398 0.037977068 0.0012681098 2200 100 0.059093045 0.059093045 0.037435193 0.00096610799 2300 100 0.03422338 0.03422338 0.025491304 0.00069886052 2400 100 0.020558284 0.020558284 0.016163009 0.0017260663 2500 100 0.015339709 0.015339709 0.012329236 0.00041308031 2600 100 0.012891354 0.012891354 0.009766054 0.00030356722 2700 100 0.0092634449 0.0092634449 0.0073580108 0.00077723051 2800 100 0.0073925841 0.0073925841 0.0059932218 0.00016466767 2900 100 0.0081228267 0.0081228267 0.006281761 0.00013828388 3000 100 0.0041833223 0.0041833223 0.0035147096 0.00013160599 3100 100 0.0035930775 0.0035930775 0.0030039922 0.00060639771 3200 100 0.0030824465 0.0030824465 0.0026541293 0.00047391014 3300 100 0.0035087522 0.0035087522 0.0027664508 0.00014080317 3400 100 0.0018537868 0.0018537868 0.0017099705 6.3326674e-05 3500 100 0.0015371228 0.0015371228 0.0014155433 0.00021612522 3600 100 0.001708556 0.001708556 0.0014369892 8.1034202e-05 3700 100 0.00095948652 0.00095948652 0.0009788528 3.4694023e-05 3800 100 0.00091875668 0.00091875668 0.00086805146 3.9373686e-05 3900 100 0.001557068 0.001557068 0.001159526 2.5178607e-05 4000 100 0.00062012451 0.00062012451 0.00066806922 5.6680551e-06 4100 100 0.00060940771 0.00060940771 0.00065614741 1.0137901e-05 4200 100 0.00059538437 0.00059538437 0.00064501521 7.3679744e-06 4300 100 0.00052946048 0.00052946048 0.00059353641 5.9225081e-06 4400 100 0.00051202281 0.00051202281 0.00057524772 3.6198435e-05 4500 100 0.00049986632 0.00049986632 0.00055754521 2.2275519e-05 4600 100 0.00048187334 0.00048187334 0.00053988815 2.2015243e-05 4700 100 0.00045261491 0.00045261491 0.00050298355 8.9681339e-05 4800 100 0.00034965427 0.00034965427 0.0004278781 1.0983535e-05 4900 100 0.00033555621 0.00033555621 0.00041435167 2.9266598e-05 5000 100 0.00031387148 0.00031387148 0.00039605781 2.5628425e-05 Loop time of 0.073938 on 1 procs for 5000 steps with 100 atoms Performance: 29213677.752 tau/day, 67624.254 timesteps/s, 6.762 Matom-step/s 98.6% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0084547 | 0.0084547 | 0.0084547 | 0.0 | 11.43 Neigh | 0.011399 | 0.011399 | 0.011399 | 0.0 | 15.42 Comm | 0.00077205 | 0.00077205 | 0.00077205 | 0.0 | 1.04 Output | 0.00042663 | 0.00042663 | 0.00042663 | 0.0 | 0.58 Modify | 0.049692 | 0.049692 | 0.049692 | 0.0 | 67.21 Other | | 0.003194 | | | 4.32 Nlocal: 100 ave 100 max 100 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 164 ave 164 max 164 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 164 Ave neighs/atom = 1.64 Neighbor list builds = 281 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 Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule WARNING: Region properties for region container changed between runs, resetting its motion (src/GRANULAR/fix_wall_gran_region.cpp:101) Per MPI rank memory allocation (min/avg/max) = 5.837 | 5.837 | 5.837 Mbytes Step Atoms Temp c_1 c_2 Press 5000 100 0.00031387148 0.00031387148 0.00039605781 2.6174978e-05 5100 100 0.54537023 0.54537023 0.30042175 0.0087427352 5200 100 0.57210852 0.57210852 0.3192468 0.0098134067 5300 100 0.7168108 0.7168108 0.38577893 0.011004584 5400 100 0.78895524 0.78895524 0.41889428 0.013555713 5500 100 0.87797874 0.87797874 0.45689223 0.01565356 5600 100 0.95424379 0.95424379 0.48830429 0.014707858 5700 100 1.0046012 1.0046012 0.51054927 0.01469179 5800 100 1.0371453 1.0371453 0.5262568 0.015576788 5900 100 1.0545743 1.0545743 0.5361173 0.01589889 6000 100 1.0932949 1.0932949 0.55402214 0.017484573 6100 100 1.1148364 1.1148364 0.56241126 0.01721788 6200 100 1.1315267 1.1315267 0.57050887 0.017961246 6300 100 1.1506124 1.1506124 0.58009471 0.017159062 6400 100 1.1663328 1.1663328 0.5876586 0.017935311 6500 100 1.1821086 1.1821086 0.59595161 0.018005316 6600 100 1.2039397 1.2039397 0.60567523 0.021604661 6700 100 1.2269912 1.2269912 0.61770225 0.018907995 6800 100 1.2447034 1.2447034 0.62576519 0.020537655 6900 100 1.2625323 1.2625323 0.63486698 0.02010613 7000 100 1.2617127 1.2617127 0.63318163 0.019670429 7100 100 1.260715 1.260715 0.63311254 0.01981063 7200 100 1.2790404 1.2790404 0.64079 0.020218912 7300 100 1.2760228 1.2760228 0.6395331 0.021749952 7400 100 1.2799657 1.2799657 0.64139078 0.020472917 7500 100 1.2846472 1.2846472 0.64343076 0.020610029 7600 100 1.2883963 1.2883963 0.6449186 0.020748906 7700 100 1.2926891 1.2926891 0.64684538 0.020599574 7800 100 1.3033565 1.3033565 0.65126214 0.021822145 7900 100 1.3025797 1.3025797 0.65069472 0.02121384 8000 100 1.3052551 1.3052551 0.65209898 0.021398725 8100 100 1.3069868 1.3069868 0.65304899 0.021246465 8200 100 1.3091964 1.3091964 0.65438143 0.021222398 8300 100 1.3101277 1.3101277 0.65518554 0.021329556 8400 100 1.3117162 1.3117162 0.65551056 0.021468306 8500 100 1.3143892 1.3143892 0.65683087 0.021610874 8600 100 1.3164123 1.3164123 0.65789423 0.021564818 8700 100 1.3186854 1.3186854 0.65914031 0.021745193 8800 100 1.3216944 1.3216944 0.66041385 0.022178553 8900 100 1.3207558 1.3207558 0.65988071 0.021810027 9000 100 1.3213131 1.3213131 0.66020938 0.021890893 9100 100 1.3224905 1.3224905 0.66088289 0.021824994 9200 100 1.3240681 1.3240681 0.66183168 0.021784616 9300 100 1.3254174 1.3254174 0.66279883 0.021664485 9400 100 1.3326916 1.3326916 0.66633358 0.021979709 9500 100 1.3405062 1.3405062 0.66975745 0.022238702 9600 100 1.3363695 1.3363695 0.66742377 0.022104646 9700 100 1.3363391 1.3363391 0.6673032 0.022066628 9800 100 1.334875 1.334875 0.6665532 0.021902669 9900 100 1.3339805 1.3339805 0.66614358 0.022018971 10000 100 1.3337897 1.3337897 0.66609803 0.022184385 Loop time of 0.213875 on 1 procs for 5000 steps with 100 atoms Performance: 10099379.673 tau/day, 23378.194 timesteps/s, 2.338 Matom-step/s 99.6% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.031863 | 0.031863 | 0.031863 | 0.0 | 14.90 Neigh | 0.026844 | 0.026844 | 0.026844 | 0.0 | 12.55 Comm | 0.0011059 | 0.0011059 | 0.0011059 | 0.0 | 0.52 Output | 0.00072907 | 0.00072907 | 0.00072907 | 0.0 | 0.34 Modify | 0.14874 | 0.14874 | 0.14874 | 0.0 | 69.54 Other | | 0.004595 | | | 2.15 Nlocal: 100 ave 100 max 100 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 186 ave 186 max 186 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 186 Ave neighs/atom = 1.86 Neighbor list builds = 626 Dangerous builds = 0 region container delete region container block -6 6 -6 6 -6 6 units box run 5000 Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule Per MPI rank memory allocation (min/avg/max) = 5.837 | 5.837 | 5.837 Mbytes Step Atoms Temp c_1 c_2 Press 10000 100 1.3337897 1.3337897 0.66609803 0.022303323 10100 100 0.29960521 0.29960521 0.17535846 0.0099382421 10200 100 0.15737069 0.15737069 0.1024212 0.0045555648 10300 100 0.087501771 0.087501771 0.070895975 0.00093482858 10400 100 0.069967301 0.069967301 0.059253397 0.0008760803 10500 100 0.056137153 0.056137153 0.047810947 0.0009202993 10600 100 0.046835352 0.046835352 0.039400006 0.0011343063 10700 100 0.035422167 0.035422167 0.030746587 0.00081816474 10800 100 0.029180739 0.029180739 0.02627693 0.00039292712 10900 100 0.025094915 0.025094915 0.023244435 0.00044742245 11000 100 0.018014893 0.018014893 0.016862375 0.00017018411 11100 100 0.014549072 0.014549072 0.014551468 0.00020988549 11200 100 0.012586232 0.012586232 0.012569333 0.00019035396 11300 100 0.01003586 0.01003586 0.010253286 0.0004598214 11400 100 0.0067515743 0.0067515743 0.0069569741 0.00040592883 11500 100 0.0057834612 0.0057834612 0.0060790719 0.00013993531 11600 100 0.005496335 0.005496335 0.0056855922 0.00013419698 11700 100 0.0051524178 0.0051524178 0.0053354591 7.4388594e-05 11800 100 0.004911096 0.004911096 0.0051415984 0.00010665621 11900 100 0.004687138 0.004687138 0.0049520306 6.7492552e-05 12000 100 0.0041516495 0.0041516495 0.0044351666 4.3841199e-05 12100 100 0.0033948026 0.0033948026 0.0036851466 4.2010682e-05 12200 100 0.0029584231 0.0029584231 0.0031151054 5.1583068e-05 12300 100 0.0028401114 0.0028401114 0.0030094644 4.5499489e-05 12400 100 0.002650861 0.002650861 0.0027699066 0.00015370263 12500 100 0.0026018053 0.0026018053 0.0027178583 3.219734e-05 12600 100 0.0025788693 0.0025788693 0.0026939358 3.6615314e-05 12700 100 0.0024798907 0.0024798907 0.0026181033 3.0688648e-05 12800 100 0.0023930719 0.0023930719 0.0025491721 7.5200629e-05 12900 100 0.0022100795 0.0022100795 0.0024231125 2.3210159e-05 13000 100 0.0021267492 0.0021267492 0.0023312893 2.463758e-05 13100 100 0.0020732193 0.0020732193 0.0022673707 2.5656089e-05 13200 100 0.0020010659 0.0020010659 0.0021834293 2.4913608e-05 13300 100 0.0019645929 0.0019645929 0.0021311636 6.8209063e-05 13400 100 0.0019236711 0.0019236711 0.0020928899 2.3805429e-05 13500 100 0.001857137 0.001857137 0.0020387354 3.1316165e-05 13600 100 0.0018399111 0.0018399111 0.0020204586 2.27689e-05 13700 100 0.0016240252 0.0016240252 0.0017492695 0.00023180963 13800 100 0.0015856393 0.0015856393 0.0017164012 4.2480373e-05 13900 100 0.0014770352 0.0014770352 0.001571278 2.3192512e-05 14000 100 0.0013712974 0.0013712974 0.0014839763 4.7410142e-05 14100 100 0.0012396318 0.0012396318 0.0013778109 1.3867692e-05 14200 100 0.0011502319 0.0011502319 0.0012780584 0.00018410725 14300 100 0.0011020896 0.0011020896 0.0012348357 7.8122446e-05 14400 100 0.0010486644 0.0010486644 0.0011483239 0.00015074963 14500 100 0.00094167471 0.00094167471 0.0010033809 1.9550083e-05 14600 100 0.00080775791 0.00080775791 0.00087434944 4.6043659e-05 14700 100 0.00076176039 0.00076176039 0.00083462461 8.1916038e-05 14800 100 0.00073637901 0.00073637901 0.00081306941 9.1126903e-06 14900 100 0.00072682383 0.00072682383 0.00079396231 8.9944449e-06 15000 100 0.00070207518 0.00070207518 0.00077168127 2.2155171e-05 Loop time of 0.0756704 on 1 procs for 5000 steps with 100 atoms Performance: 28544845.995 tau/day, 66076.032 timesteps/s, 6.608 Matom-step/s 99.7% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0079484 | 0.0079484 | 0.0079484 | 0.0 | 10.50 Neigh | 0.0043035 | 0.0043035 | 0.0043035 | 0.0 | 5.69 Comm | 0.00064796 | 0.00064796 | 0.00064796 | 0.0 | 0.86 Output | 0.00044137 | 0.00044137 | 0.00044137 | 0.0 | 0.58 Modify | 0.059329 | 0.059329 | 0.059329 | 0.0 | 78.40 Other | | 0.003 | | | 3.97 Nlocal: 100 ave 100 max 100 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 165 ave 165 max 165 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 165 Ave neighs/atom = 1.65 Neighbor list builds = 101 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 Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule Per MPI rank memory allocation (min/avg/max) = 5.837 | 5.837 | 5.837 Mbytes Step Atoms Temp c_1 c_2 Press 15000 100 0.00070207518 0.00070207518 0.00077168127 2.0192237e-05 15100 100 1.1160127 1.1160127 0.69939857 0.01822663 15200 100 1.2546016 1.2546016 0.78819474 0.017013321 15300 100 1.1930613 1.1930613 0.77429911 0.015607175 15400 100 1.3791371 1.3791371 0.87875984 0.018478669 15500 100 1.6063158 1.6063158 0.98587325 0.027330546 15600 100 1.7719925 1.7719925 1.0773314 0.025651867 15700 100 1.8053439 1.8053439 1.0934572 0.033790716 15800 100 1.959016 1.959016 1.1465659 0.033715025 15900 100 2.1365654 2.1365654 1.2217718 0.03009529 16000 100 2.2883378 2.2883378 1.2768504 0.030582689 16100 100 2.4384012 2.4384012 1.3513708 0.031435936 16200 100 2.3571308 2.3571308 1.29989 0.034824253 16300 100 2.4671092 2.4671092 1.3516798 0.032364282 16400 100 2.4411936 2.4411936 1.3385743 0.031890134 16500 100 2.4930545 2.4930545 1.3635435 0.032601452 16600 100 2.5771906 2.5771906 1.4113993 0.034547128 16700 100 2.723199 2.723199 1.4769168 0.036582811 16800 100 2.8616886 2.8616886 1.5379462 0.036224198 16900 100 2.9517942 2.9517942 1.5872824 0.038757052 17000 100 3.0150335 3.0150335 1.6337001 0.044031411 17100 100 3.2211536 3.2211536 1.7374532 0.041483093 17200 100 3.2509982 3.2509982 1.7512835 0.042718835 17300 100 3.262348 3.262348 1.7648674 0.049291835 17400 100 3.4050702 3.4050702 1.8352043 0.04435958 17500 100 3.5236051 3.5236051 1.9003369 0.045640904 17600 100 3.4005287 3.4005287 1.8404347 0.044832295 17700 100 3.3190992 3.3190992 1.8154147 0.046365998 17800 100 3.2981138 3.2981138 1.811389 0.04607132 17900 100 3.2839466 3.2839466 1.7863773 0.045628167 18000 100 3.1519747 3.1519747 1.7382103 0.041739193 18100 100 3.1205305 3.1205305 1.7101547 0.043511342 18200 100 3.2014874 3.2014874 1.746745 0.04452173 18300 100 3.2739622 3.2739622 1.7796276 0.041345823 18400 100 3.3157359 3.3157359 1.8158932 0.047414 18500 100 3.5592096 3.5592096 1.9307695 0.046458132 18600 100 3.6594352 3.6594352 1.9851626 0.046396953 18700 100 3.6392917 3.6392917 1.9701361 0.047272883 18800 100 3.8490892 3.8490892 2.0832481 0.052344106 18900 100 3.8465732 3.8465732 2.0790411 0.054203126 19000 100 4.010008 4.010008 2.1620722 0.054242542 19100 100 4.0417392 4.0417392 2.168506 0.066484948 19200 100 3.8791541 3.8791541 2.0791914 0.060788142 19300 100 4.1023603 4.1023603 2.1944127 0.056461298 19400 100 4.1294375 4.1294375 2.2009649 0.061099665 19500 100 3.9274112 3.9274112 2.0877398 0.066068401 19600 100 4.066229 4.066229 2.1678487 0.055961003 19700 100 3.9829257 3.9829257 2.1184329 0.061961838 19800 100 4.0303258 4.0303258 2.14544 0.053667616 19900 100 3.9385166 3.9385166 2.1074364 0.060804382 20000 100 3.8534401 3.8534401 2.0796496 0.057588336 Loop time of 0.167801 on 1 procs for 5000 steps with 100 atoms Performance: 12872385.064 tau/day, 29797.188 timesteps/s, 2.980 Matom-step/s 99.1% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.013849 | 0.013849 | 0.013849 | 0.0 | 8.25 Neigh | 0.038108 | 0.038108 | 0.038108 | 0.0 | 22.71 Comm | 0.0011352 | 0.0011352 | 0.0011352 | 0.0 | 0.68 Output | 0.00073125 | 0.00073125 | 0.00073125 | 0.0 | 0.44 Modify | 0.10927 | 0.10927 | 0.10927 | 0.0 | 65.12 Other | | 0.004703 | | | 2.80 Nlocal: 100 ave 100 max 100 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 157 ave 157 max 157 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 157 Ave neighs/atom = 1.57 Neighbor list builds = 914 Dangerous builds = 0 region container delete region container block -6 6 -6 6 -6 6 units box run 5000 Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule Per MPI rank memory allocation (min/avg/max) = 5.837 | 5.837 | 5.837 Mbytes Step Atoms Temp c_1 c_2 Press 20000 100 3.8534401 3.8534401 2.0796496 0.057176513 20100 100 1.2993548 1.2993548 0.81360425 0.016153186 20200 100 1.0761427 1.0761427 0.68479926 0.014383682 20300 100 0.95889127 0.95889127 0.61193887 0.01314653 20400 100 0.89684043 0.89684043 0.57475851 0.011106613 20500 100 0.85901565 0.85901565 0.54372093 0.015717834 20600 100 0.98438384 0.98438384 0.6079212 0.013965815 20700 100 1.1061789 1.1061789 0.66511277 0.013698526 20800 100 1.0615292 1.0615292 0.6269413 0.014496973 20900 100 0.92980037 0.92980037 0.54727184 0.014568574 21000 100 0.71248123 0.71248123 0.41945517 0.01199152 21100 100 0.34785801 0.34785801 0.21699877 0.0062324631 21200 100 0.2452514 0.2452514 0.15265503 0.0041094159 21300 100 0.22937209 0.22937209 0.13988978 0.0034016589 21400 100 0.17765021 0.17765021 0.11334596 0.0024169343 21500 100 0.11484505 0.11484505 0.078119393 0.0020987046 21600 100 0.077564645 0.077564645 0.056175123 0.002107237 21700 100 0.049571519 0.049571519 0.039920177 0.00099127481 21800 100 0.0403125 0.0403125 0.032827882 0.00074671903 21900 100 0.02735168 0.02735168 0.023877339 0.0018186225 22000 100 0.02218474 0.02218474 0.01893178 0.00061438633 22100 100 0.021701103 0.021701103 0.0179008 0.00068071664 22200 100 0.01777321 0.01777321 0.014521817 0.00045296506 22300 100 0.016056338 0.016056338 0.01280709 0.00038192299 22400 100 0.013344054 0.013344054 0.010788852 0.0002617289 22500 100 0.011625836 0.011625836 0.0094362641 0.00045947089 22600 100 0.0068875777 0.0068875777 0.0058858647 0.00028566999 22700 100 0.0054081662 0.0054081662 0.0049545239 0.00029291503 22800 100 0.0045080107 0.0045080107 0.0042362636 0.00015217816 22900 100 0.0038090552 0.0038090552 0.0036905284 0.00049430003 23000 100 0.003551951 0.003551951 0.0033639677 0.00022478393 23100 100 0.0033854012 0.0033854012 0.00317485 0.00015179604 23200 100 0.0032951003 0.0032951003 0.0029760374 0.00015363208 23300 100 0.0022995179 0.0022995179 0.0023224311 0.00018791799 23400 100 0.0020834178 0.0020834178 0.0021434342 0.00020683744 23500 100 0.0019221303 0.0019221303 0.0020227484 0.00018960984 23600 100 0.0018393381 0.0018393381 0.0019560681 0.00021375486 23700 100 0.0019027035 0.0019027035 0.0020047598 0.00010932204 23800 100 0.0023612063 0.0023612063 0.0021895633 6.7671176e-05 23900 100 0.0019570853 0.0019570853 0.0018847178 5.6761457e-05 24000 100 0.0013011744 0.0013011744 0.0013899106 3.8847148e-05 24100 100 0.001281115 0.001281115 0.0013737259 3.7559904e-05 24200 100 0.0012136262 0.0012136262 0.0013002937 6.8727546e-05 24300 100 0.0011789934 0.0011789934 0.0012399341 3.7633632e-05 24400 100 0.0011601514 0.0011601514 0.0012186534 4.0077907e-05 24500 100 0.0010660295 0.0010660295 0.0011419405 0.00015757237 24600 100 0.00098862453 0.00098862453 0.0010869455 4.5714503e-05 24700 100 0.00087647136 0.00087647136 0.00091405278 3.3129869e-05 24800 100 0.00063913046 0.00063913046 0.00072298864 3.5424308e-05 24900 100 0.00062195456 0.00062195456 0.00070527087 2.6201396e-05 25000 100 0.00057599538 0.00057599538 0.00065623226 2.0096103e-05 Loop time of 0.0771328 on 1 procs for 5000 steps with 100 atoms Performance: 28003659.560 tau/day, 64823.286 timesteps/s, 6.482 Matom-step/s 99.7% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0090635 | 0.0090635 | 0.0090635 | 0.0 | 11.75 Neigh | 0.012028 | 0.012028 | 0.012028 | 0.0 | 15.59 Comm | 0.0008345 | 0.0008345 | 0.0008345 | 0.0 | 1.08 Output | 0.00038777 | 0.00038777 | 0.00038777 | 0.0 | 0.50 Modify | 0.051619 | 0.051619 | 0.051619 | 0.0 | 66.92 Other | | 0.0032 | | | 4.15 Nlocal: 100 ave 100 max 100 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 158 ave 158 max 158 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 158 Ave neighs/atom = 1.58 Neighbor list builds = 310 Dangerous builds = 0 Total wall time: 0:00:00