LAMMPS (5 Oct 2016) # 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 yes compute 2 all temp/sphere compute_modify 2 dynamic yes thermo 100 thermo_style custom step atoms temp c_1 c_2 press thermo_modify lost ignore compute_modify thermo_temp dynamic 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 ... 1 neighbor list requests 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 Memory usage per processor = 0.0990257 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 0.39112377 0.39112377 0.21690744 0.0086559347 1300 81 0.33302801 0.33302801 0.19110222 0.0033381288 1400 81 0.39333146 0.39333146 0.21220965 0.0041348597 1500 81 0.35493951 0.35493951 0.19924958 0.00373736 1600 81 0.34154491 0.34154491 0.19031147 0.005349672 1700 100 0.25598828 0.25598828 0.14171498 0.0092236643 1800 100 0.2114074 0.2114074 0.12162965 0.0027213483 1900 100 0.21810423 0.21810423 0.12176698 0.0036436054 2000 100 0.2553198 0.2553198 0.13900087 0.0032844518 2100 100 0.24809936 0.24809936 0.13753654 0.0088764777 2200 100 0.22455625 0.22455625 0.12500973 0.0043515755 2300 100 0.19586871 0.19586871 0.11064996 0.0055176298 2400 100 0.059621411 0.059621411 0.045535517 0.00079910861 2500 100 0.052217518 0.052217518 0.038542594 0.0009759424 2600 100 0.036907358 0.036907358 0.027550263 0.0014047668 2700 100 0.027926944 0.027926944 0.020599405 0.00063362027 2800 100 0.020876282 0.020876282 0.015385856 0.00066161626 2900 100 0.010390963 0.010390963 0.0085038611 0.00026222195 3000 100 0.0080105974 0.0080105974 0.006995365 0.00059521652 3100 100 0.0087388005 0.0087388005 0.0069051613 0.00028045343 3200 100 0.0078828927 0.0078828927 0.0060159861 0.00014819289 3300 100 0.0039336821 0.0039336821 0.0036525886 0.0001439482 3400 100 0.0037684472 0.0037684472 0.0031531439 0.00010653386 3500 100 0.0023527874 0.0023527874 0.0020983632 6.3797052e-05 3600 100 0.0018768162 0.0018768162 0.0017248798 0.00014904114 3700 100 0.00135595 0.00135595 0.0013962044 6.2461444e-05 3800 100 0.0012673777 0.0012673777 0.0013074364 0.00028034063 3900 100 0.00081311806 0.00081311806 0.00095642595 7.9543605e-05 4000 100 0.00059774673 0.00059774673 0.00074849615 6.8190201e-05 4100 100 0.00052811986 0.00052811986 0.00067263919 5.012633e-05 4200 100 0.00049555855 0.00049555855 0.00061736675 4.9888372e-05 4300 100 0.00048274473 0.00048274473 0.00059050389 5.1381757e-05 4400 100 0.00047341333 0.00047341333 0.00058083446 5.02623e-05 4500 100 0.00046792237 0.00046792237 0.00057416894 4.9019652e-05 4600 100 0.00046035378 0.00046035378 0.00056694823 6.0353699e-05 4700 100 0.00038114933 0.00038114933 0.0004980117 6.5173515e-05 4800 100 0.0003783967 0.0003783967 0.00049488428 4.8463898e-05 4900 100 0.00027940611 0.00027940611 0.00041517649 5.0979155e-05 5000 100 0.00026071989 0.00026071989 0.00040045214 5.151673e-05 Loop time of 0.0799825 on 4 procs for 5000 steps with 100 atoms Performance: 27005901.076 tau/day, 62513.660 timesteps/s 96.6% CPU use with 4 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00093961 | 0.0032012 | 0.0054553 | 3.8 | 4.00 Neigh | 0.0032456 | 0.0046872 | 0.0061908 | 2.0 | 5.86 Comm | 0.014328 | 0.02121 | 0.029619 | 4.7 | 26.52 Output | 0.0011828 | 0.0014142 | 0.0015574 | 0.4 | 1.77 Modify | 0.002455 | 0.013876 | 0.026567 | 9.6 | 17.35 Other | | 0.03559 | | | 44.50 Nlocal: 25 ave 51 max 0 min Histogram: 2 0 0 0 0 0 0 0 0 2 Nghost: 4.75 ave 11 max 0 min Histogram: 2 0 0 0 0 0 0 1 0 1 Neighs: 39.5 ave 85 max 0 min Histogram: 2 0 0 0 0 0 0 0 1 1 Total # of neighbors = 158 Ave neighs/atom = 1.58 Neighbor list builds = 305 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 Memory usage per processor = 5.16122 Mbytes Step Atoms Temp c_1 c_2 Press 5000 100 0.00026071989 0.00026071989 0.00040045214 5.1497323e-05 5100 100 0.66352492 0.66352492 0.35750241 0.015948709 5200 100 0.6922229 0.6922229 0.37176131 0.011025479 5300 100 0.76307067 0.76307067 0.40325027 0.010979511 5400 100 0.83871418 0.83871418 0.43756084 0.012600965 5500 100 0.93090048 0.93090048 0.4817574 0.012306942 5600 100 0.98338567 0.98338567 0.50374148 0.015434412 5700 100 1.0455442 1.0455442 0.53265847 0.017959409 5800 100 1.1081511 1.1081511 0.56112842 0.018832417 5900 100 1.1724309 1.1724309 0.59276447 0.019257973 6000 100 1.1914813 1.1914813 0.60201665 0.019694573 6100 100 1.2417733 1.2417733 0.62578893 0.019616524 6200 100 1.2612898 1.2612898 0.63503847 0.020442394 6300 100 1.2657345 1.2657345 0.63714395 0.020498843 6400 100 1.2678009 1.2678009 0.63828941 0.019900919 6500 100 1.284156 1.284156 0.64724666 0.020147256 6600 100 1.3090278 1.3090278 0.65925035 0.02136883 6700 100 1.3122075 1.3122075 0.66136807 0.020782325 6800 100 1.3147107 1.3147107 0.66026206 0.022887611 6900 100 1.3185295 1.3185295 0.66157265 0.021249838 7000 100 1.3232771 1.3232771 0.66334852 0.021738995 7100 100 1.3375003 1.3375003 0.67017176 0.021997185 7200 100 1.3349835 1.3349835 0.66895884 0.022149977 7300 100 1.3388711 1.3388711 0.67061163 0.021662545 7400 100 1.338676 1.338676 0.67074642 0.021076102 7500 100 1.3409052 1.3409052 0.67205098 0.021664853 7600 100 1.3499236 1.3499236 0.67612412 0.021653422 7700 100 1.3479719 1.3479719 0.67510646 0.021873569 7800 100 1.3489138 1.3489138 0.67563223 0.021419315 7900 100 1.357018 1.357018 0.6795804 0.022201202 8000 100 1.3540513 1.3540513 0.67843711 0.02275761 8100 100 1.3560429 1.3560429 0.67947065 0.022421723 8200 100 1.3590694 1.3590694 0.6806094 0.022004213 8300 100 1.3592154 1.3592154 0.68083948 0.021923269 8400 100 1.3601392 1.3601392 0.68121418 0.022155184 8500 100 1.3622149 1.3622149 0.6824182 0.022126924 8600 100 1.3651697 1.3651697 0.68397342 0.022195287 8700 100 1.3679254 1.3679254 0.68540978 0.023609651 8800 100 1.3686254 1.3686254 0.68559712 0.02242291 8900 100 1.3761277 1.3761277 0.68897201 0.023594162 9000 100 1.379968 1.379968 0.69045216 0.022516846 9100 100 1.3784732 1.3784732 0.68955121 0.022836115 9200 100 1.376848 1.376848 0.6885551 0.02279321 9300 100 1.3799231 1.3799231 0.68964009 0.023105818 9400 100 1.3817992 1.3817992 0.69057466 0.023062265 9500 100 1.3836544 1.3836544 0.69156755 0.024363244 9600 100 1.388032 1.388032 0.69348762 0.024930983 9700 100 1.3943738 1.3943738 0.6965703 0.024448451 9800 100 1.3963094 1.3963094 0.6971039 0.02341203 9900 100 1.3995489 1.3995489 0.69881652 0.023502542 10000 100 1.3974742 1.3974742 0.69765474 0.02340004 Loop time of 0.18267 on 4 procs for 5000 steps with 100 atoms Performance: 11824571.055 tau/day, 27371.692 timesteps/s 99.1% CPU use with 4 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0010765 | 0.012038 | 0.023519 | 9.9 | 6.59 Neigh | 0.0057316 | 0.010541 | 0.015351 | 4.6 | 5.77 Comm | 0.0067229 | 0.017007 | 0.028509 | 7.8 | 9.31 Output | 0.0011928 | 0.002021 | 0.0027668 | 1.6 | 1.11 Modify | 0.009697 | 0.053707 | 0.098413 | 19.0 | 29.40 Other | | 0.08736 | | | 47.82 Nlocal: 25 ave 51 max 0 min Histogram: 2 0 0 0 0 0 0 0 0 2 Nghost: 3.25 ave 8 max 0 min Histogram: 2 0 0 0 0 0 1 0 0 1 Neighs: 46.75 ave 104 max 0 min Histogram: 2 0 0 0 0 0 0 1 0 1 Total # of neighbors = 187 Ave neighs/atom = 1.87 Neighbor list builds = 633 Dangerous builds = 0 region container delete region container block -6 6 -6 6 -6 6 units box run 5000 Memory usage per processor = 5.16122 Mbytes Step Atoms Temp c_1 c_2 Press 10000 100 1.3974742 1.3974742 0.69765474 0.023347613 10100 100 0.34944285 0.34944285 0.20251378 0.019176827 10200 100 0.22524385 0.22524385 0.14368424 0.0033260831 10300 100 0.15243438 0.15243438 0.11070165 0.0064816535 10400 100 0.1143586 0.1143586 0.087867032 0.0024091961 10500 100 0.092025102 0.092025102 0.071291506 0.0030683413 10600 100 0.071051442 0.071051442 0.05700858 0.00100243 10700 100 0.058346771 0.058346771 0.04843626 0.0006073275 10800 100 0.048700232 0.048700232 0.039550383 0.00091511006 10900 100 0.036880936 0.036880936 0.029482183 0.0011698854 11000 100 0.028768807 0.028768807 0.023865852 0.0011980794 11100 100 0.022823005 0.022823005 0.018819891 0.0004639259 11200 100 0.016954703 0.016954703 0.014075803 0.00085142865 11300 100 0.015359685 0.015359685 0.01295219 0.00026241662 11400 100 0.012748378 0.012748378 0.011085291 0.00045626939 11500 100 0.010464459 0.010464459 0.0087024732 0.00029325411 11600 100 0.0099186727 0.0099186727 0.0080127406 0.00031388584 11700 100 0.0088308874 0.0088308874 0.0072317369 0.00017850972 11800 100 0.0081740195 0.0081740195 0.0066522963 0.00012282618 11900 100 0.0079005289 0.0079005289 0.0063346391 0.00010630403 12000 100 0.0066277573 0.0066277573 0.0054122601 5.4791661e-05 12100 100 0.00567928 0.00567928 0.0047331385 9.2668647e-05 12200 100 0.005282803 0.005282803 0.0043827202 8.7820361e-05 12300 100 0.0051590302 0.0051590302 0.0042806737 6.5433983e-05 12400 100 0.0049013329 0.0049013329 0.0040882737 6.2007733e-05 12500 100 0.0044725745 0.0044725745 0.0037535523 6.1132729e-05 12600 100 0.0043131884 0.0043131884 0.0035845765 5.3375706e-05 12700 100 0.0042020236 0.0042020236 0.0034902096 0.0001192142 12800 100 0.0041367453 0.0041367453 0.003433341 0.00011052418 12900 100 0.0039862367 0.0039862367 0.0033026224 5.2674711e-05 13000 100 0.0033163769 0.0033163769 0.0028118123 5.9042575e-05 13100 100 0.0030645983 0.0030645983 0.002571872 4.9521551e-05 13200 100 0.002808301 0.002808301 0.0023652684 3.4748246e-05 13300 100 0.002556475 0.002556475 0.0021699595 0.00042840611 13400 100 0.0023430405 0.0023430405 0.0019913198 2.2687303e-05 13500 100 0.0021422817 0.0021422817 0.0018017112 -6.7761855e-06 13600 100 0.0020993702 0.0020993702 0.001749657 2.5979707e-05 13700 100 0.0019871396 0.0019871396 0.0016647634 5.754995e-05 13800 100 0.0017311886 0.0017311886 0.0014696399 2.1585018e-05 13900 100 0.0016249641 0.0016249641 0.0013982224 2.0108931e-05 14000 100 0.0015874763 0.0015874763 0.0013613318 0.00018348921 14100 100 0.0013772541 0.0013772541 0.0012193388 1.9336869e-05 14200 100 0.0013587865 0.0013587865 0.0012054213 1.807845e-05 14300 100 0.0011824329 0.0011824329 0.0010348168 0.00017307518 14400 100 0.0011387278 0.0011387278 0.0010010725 1.4091757e-05 14500 100 0.0010441599 0.0010441599 0.00092205881 1.3630652e-05 14600 100 0.00096839518 0.00096839518 0.00086828535 1.2437299e-05 14700 100 0.00094215882 0.00094215882 0.00084418599 5.3989122e-05 14800 100 0.00077297853 0.00077297853 0.00070382005 8.5049867e-06 14900 100 0.00072181281 0.00072181281 0.00066110432 8.9324335e-06 15000 100 0.00070122327 0.00070122327 0.00063826734 3.4876262e-05 Loop time of 0.0815294 on 4 procs for 5000 steps with 100 atoms Performance: 26493517.176 tau/day, 61327.586 timesteps/s 97.8% CPU use with 4 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00076294 | 0.0033154 | 0.0062585 | 4.3 | 4.07 Neigh | 0.0010953 | 0.0020078 | 0.002914 | 2.0 | 2.46 Comm | 0.0021389 | 0.012184 | 0.023433 | 9.1 | 14.94 Output | 0.0011332 | 0.0014591 | 0.0017147 | 0.7 | 1.79 Modify | 0.00083971 | 0.017889 | 0.035367 | 12.7 | 21.94 Other | | 0.04467 | | | 54.79 Nlocal: 25 ave 54 max 0 min Histogram: 2 0 0 0 0 0 0 0 1 1 Nghost: 3.75 ave 8 max 0 min Histogram: 2 0 0 0 0 0 0 0 1 1 Neighs: 37.5 ave 97 max 0 min Histogram: 2 0 0 0 0 1 0 0 0 1 Total # of neighbors = 150 Ave neighs/atom = 1.5 Neighbor list builds = 120 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 Memory usage per processor = 5.16122 Mbytes Step Atoms Temp c_1 c_2 Press 15000 100 0.00070122327 0.00070122327 0.00063826734 3.4742207e-05 15100 100 1.1981004 1.1981004 0.74046013 0.017300203 15200 100 1.2197457 1.2197457 0.75847511 0.016724637 15300 100 1.1794198 1.1794198 0.77076582 0.017228755 15400 100 1.4027714 1.4027714 0.87950036 0.021028602 15500 100 1.5514702 1.5514702 0.95040716 0.019935207 15600 100 1.8360404 1.8360404 1.0987247 0.02494663 15700 100 2.0317625 2.0317625 1.2004001 0.029286087 15800 100 2.0478625 2.0478625 1.189893 0.031660426 15900 100 2.1289888 2.1289888 1.2083316 0.028754408 16000 100 2.2261493 2.2261493 1.2550891 0.030665647 16100 100 2.3005184 2.3005184 1.29238 0.036511242 16200 100 2.4515818 2.4515818 1.3563253 0.033787104 16300 100 2.4524614 2.4524614 1.3571527 0.031905963 16400 100 2.5592541 2.5592541 1.405001 0.035688651 16500 100 2.5311864 2.5311864 1.3918694 0.032451265 16600 100 2.6471904 2.6471904 1.4481739 0.034763978 16700 100 2.7024085 2.7024085 1.4785065 0.037514299 16800 100 2.8116979 2.8116979 1.5403269 0.03585152 16900 100 2.9095374 2.9095374 1.5962283 0.038244982 17000 100 2.9228985 2.9228985 1.5978628 0.037971615 17100 100 2.983589 2.983589 1.6205713 0.038332341 17200 100 3.1245984 3.1245984 1.6925827 0.042532223 17300 100 3.1060575 3.1060575 1.6713928 0.052589575 17400 100 3.2494904 3.2494904 1.7567188 0.044783721 17500 100 3.2313349 3.2313349 1.7549177 0.044959213 17600 100 3.3928412 3.3928412 1.822978 0.052512199 17700 100 3.3064729 3.3064729 1.7924768 0.046624738 17800 100 3.1907518 3.1907518 1.7406131 0.042864325 17900 100 3.0224556 3.0224556 1.6641648 0.040151025 18000 100 3.105271 3.105271 1.7045599 0.047137803 18100 100 3.0293425 3.0293425 1.6626024 0.04198758 18200 100 3.139773 3.139773 1.7310307 0.040137164 18300 100 2.9732894 2.9732894 1.6555933 0.03777758 18400 100 3.1250324 3.1250324 1.739812 0.038542298 18500 100 3.1687407 3.1687407 1.7593494 0.041591022 18600 100 3.2880821 3.2880821 1.8169373 0.042503015 18700 100 3.4877047 3.4877047 1.9049979 0.048156272 18800 100 3.7982973 3.7982973 2.055323 0.049805341 18900 100 3.9922267 3.9922267 2.1260665 0.062688073 19000 100 3.8620284 3.8620284 2.0652184 0.064418518 19100 100 3.8757665 3.8757665 2.0615465 0.058600317 19200 100 3.9425495 3.9425495 2.1030375 0.053714175 19300 100 3.8589133 3.8589133 2.0485568 0.05531747 19400 100 3.9202395 3.9202395 2.0904529 0.056324297 19500 100 3.9748628 3.9748628 2.1114492 0.055590699 19600 100 3.8876771 3.8876771 2.0918436 0.052415532 19700 100 3.8975921 3.8975921 2.0755799 0.050647718 19800 100 3.7488333 3.7488333 2.0024562 0.056966734 19900 100 3.7818574 3.7818574 2.00915 0.050079148 20000 100 3.4510736 3.4510736 1.8525818 0.053548452 Loop time of 0.156607 on 4 procs for 5000 steps with 100 atoms Performance: 13792452.627 tau/day, 31926.974 timesteps/s 98.5% CPU use with 4 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0030923 | 0.0049732 | 0.0071678 | 2.1 | 3.18 Neigh | 0.012225 | 0.015592 | 0.017859 | 1.7 | 9.96 Comm | 0.034876 | 0.037526 | 0.040807 | 1.1 | 23.96 Output | 0.0013812 | 0.0015668 | 0.0017419 | 0.3 | 1.00 Modify | 0.026932 | 0.044011 | 0.054787 | 5.0 | 28.10 Other | | 0.05294 | | | 33.80 Nlocal: 25 ave 41 max 12 min Histogram: 1 0 0 1 1 0 0 0 0 1 Nghost: 3.25 ave 6 max 1 min Histogram: 1 0 1 0 0 0 1 0 0 1 Neighs: 35.75 ave 59 max 9 min Histogram: 1 0 0 0 0 1 1 0 0 1 Total # of neighbors = 143 Ave neighs/atom = 1.43 Neighbor list builds = 917 Dangerous builds = 0 region container delete region container block -6 6 -6 6 -6 6 units box run 5000 Memory usage per processor = 5.16122 Mbytes Step Atoms Temp c_1 c_2 Press 20000 100 3.4510736 3.4510736 1.8525818 0.053182767 20100 100 0.99241675 0.99241675 0.61590164 0.015233656 20200 100 0.92799489 0.92799489 0.55540992 0.011885237 20300 100 0.9171573 0.9171573 0.54477252 0.012926388 20400 100 0.86718407 0.86718407 0.5145422 0.011384414 20500 100 0.84470122 0.84470122 0.50181203 0.010482207 20600 100 0.93025469 0.93025469 0.53939952 0.011377044 20700 100 0.96631348 0.96631348 0.55772027 0.015287231 20800 100 0.90708015 0.90708015 0.52037018 0.014854537 20900 100 0.73319001 0.73319001 0.42824847 0.0092980012 21000 100 0.3371096 0.3371096 0.21272171 0.0061783554 21100 100 0.21771022 0.21771022 0.14128887 0.0082147558 21200 100 0.18133275 0.18133275 0.11945636 0.0055722731 21300 100 0.17117199 0.17117199 0.11048263 0.0027980106 21400 100 0.15741047 0.15741047 0.10346676 0.0023057723 21500 100 0.10045855 0.10045855 0.069905343 0.0023941181 21600 100 0.066094864 0.066094864 0.051285108 0.0022519002 21700 100 0.048622069 0.048622069 0.040662255 0.00073951939 21800 100 0.046829799 0.046829799 0.037431722 0.0015913976 21900 100 0.025308514 0.025308514 0.02092076 0.00064225773 22000 100 0.016326886 0.016326886 0.013588504 0.00087416572 22100 100 0.011892981 0.011892981 0.010417133 0.00080132313 22200 100 0.011974602 0.011974602 0.010342276 0.00044437732 22300 100 0.012567486 0.012567486 0.010294969 0.00048413872 22400 100 0.011676022 0.011676022 0.0091714238 0.00066567365 22500 100 0.0098737136 0.0098737136 0.0079252142 0.00024081335 22600 100 0.0052495523 0.0052495523 0.0047802341 0.00029167814 22700 100 0.0049396543 0.0049396543 0.0043570686 0.00019793167 22800 100 0.004469254 0.004469254 0.0038657445 0.00052965165 22900 100 0.0043837877 0.0043837877 0.0034611363 0.00045595698 23000 100 0.003439309 0.003439309 0.0028031344 0.00025784869 23100 100 0.0034805091 0.0034805091 0.0027537344 0.00012746906 23200 100 0.0045502061 0.0045502061 0.0032298328 0.00024006432 23300 100 0.0028553043 0.0028553043 0.0023107483 0.00012803066 23400 100 0.0022736412 0.0022736412 0.0018560302 0.0002706771 23500 100 0.0020966521 0.0020966521 0.0017106541 0.00014239612 23600 100 0.0018760993 0.0018760993 0.0015415318 0.00010892634 23700 100 0.0022362451 0.0022362451 0.0017014519 0.00012547256 23800 100 0.0017603403 0.0017603403 0.0014681398 0.00023372731 23900 100 0.0023396747 0.0023396747 0.0016700312 0.00017014305 24000 100 0.0012059144 0.0012059144 0.0009982224 3.6215959e-05 24100 100 0.0011739433 0.0011739433 0.00097155852 3.6169918e-05 24200 100 0.0011071139 0.0011071139 0.00092095478 8.8000847e-05 24300 100 0.0011078659 0.0011078659 0.00092073833 4.8706222e-05 24400 100 0.0011037562 0.0011037562 0.00091673546 3.7548502e-05 24500 100 0.00098422752 0.00098422752 0.00083054499 9.1151844e-05 24600 100 0.00097403646 0.00097403646 0.00082364881 5.0914687e-05 24700 100 0.00093082012 0.00093082012 0.00079047801 3.2230016e-05 24800 100 0.0009138973 0.0009138973 0.00075880177 2.8780789e-05 24900 100 0.0012881027 0.0012881027 0.00093025416 1.6385252e-05 25000 100 0.00076099168 0.00076099168 0.00065175575 9.417272e-06 Loop time of 0.0846543 on 4 procs for 5000 steps with 100 atoms Performance: 25515528.493 tau/day, 59063.723 timesteps/s 98.9% CPU use with 4 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0010469 | 0.0037468 | 0.0067947 | 4.3 | 4.43 Neigh | 0.0032442 | 0.0047541 | 0.0065064 | 2.0 | 5.62 Comm | 0.0085762 | 0.016923 | 0.024509 | 5.8 | 19.99 Output | 0.0011523 | 0.0014572 | 0.0016789 | 0.6 | 1.72 Modify | 0.0017715 | 0.016296 | 0.031399 | 11.1 | 19.25 Other | | 0.04148 | | | 49.00 Nlocal: 25 ave 50 max 0 min Histogram: 2 0 0 0 0 0 0 0 0 2 Nghost: 6 ave 13 max 0 min Histogram: 2 0 0 0 0 0 0 0 1 1 Neighs: 39 ave 80 max 0 min Histogram: 2 0 0 0 0 0 0 0 0 2 Total # of neighbors = 156 Ave neighs/atom = 1.56 Neighbor list builds = 284 Dangerous builds = 0 Total wall time: 0:00:00