LAMMPS (28 Mar 2023 - Development) using 1 OpenMP thread(s) per MPI task # 2d polygon nparticle bodies units lj dimension 2 atom_style body nparticle 2 6 read_data data.body Reading data file ... orthogonal box = (-15.532225 -15.532225 -0.5) to (15.532225 15.532225 0.5) 2 by 2 by 1 MPI processor grid reading atoms ... 100 atoms 100 bodies read_data CPU = 0.001 seconds velocity all create 1.44 87287 loop geom pair_style body/nparticle 5.0 pair_coeff * * 1.0 1.0 neighbor 0.5 bin neigh_modify every 1 delay 0 check yes fix 1 all nve/body #fix 1 all nvt/body temp 1.44 1.44 1.0 fix 2 all enforce2d #compute 1 all body/local type 1 2 3 #dump 1 all local 100 dump.body index c_1[1] c_1[2] c_1[3] c_1[4] #dump 2 all image 1000 image.*.jpg type type # zoom 1.6 adiam 1.5 body type 1.0 0 #dump_modify 2 pad 5 thermo 100 run 10000 Generated 0 of 0 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 = 5.5 ghost atom cutoff = 5.5 binsize = 2.75, bins = 12 12 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair body/nparticle, perpetual attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/2d bin: standard Per MPI rank memory allocation (min/avg/max) = 5.268 | 5.268 | 5.268 Mbytes Step Temp E_pair E_mol TotEng Press 0 1.44 -0.63799525 0 0.78760475 -0.15028724 100 1.6423663 -1.000111 0 0.62583161 0.16116978 200 1.4802732 -1.2478364 0 0.21763407 0.35464152 300 1.4735433 -1.3211072 0 0.13770068 0.45307413 400 1.5119491 -1.5930779 0 -0.096248286 0.13119532 500 1.5449834 -1.6300143 0 -0.10048065 0.12635421 600 1.621105 -1.6459036 0 -0.041009639 0.43837884 700 1.5959719 -1.6348501 0 -0.054837867 0.13233006 800 1.6862723 -1.6902254 0 -0.020815854 0.20072937 900 1.6771131 -1.6544493 0 0.0058926625 0.34898089 1000 1.5867 -1.6797024 0 -0.10886943 0.33511593 1100 1.7842277 -1.6814985 0 0.084886913 0.23634574 1200 1.7089241 -1.6766866 0 0.015148192 0.40440454 1300 1.6195529 -1.6078381 0 -0.004480726 0.12193834 1400 1.5967912 -1.563198 0 0.017625291 0.2233618 1500 1.6131091 -1.5731367 0 0.023841282 0.13856054 1600 1.6096972 -1.5741595 0 0.01944073 0.096081201 1700 1.6099281 -1.5875363 0 0.0062924683 0.28628509 1800 1.7328539 -1.5696894 0 0.14583598 0.2202503 1900 1.6433157 -1.6659757 0 -0.039093124 0.12006746 2000 1.8262234 -1.778379 0 0.029582122 0.17815935 2100 1.7441298 -1.704871 0 0.021817442 0.30772022 2200 1.7933363 -1.7246149 0 0.050788098 0.11323852 2300 1.7458809 -1.7186101 0 0.0098120012 0.0034260299 2400 1.8202324 -1.7777769 0 0.024253178 0.089077551 2500 1.691512 -1.6976236 0 -0.023026761 0.23901369 2600 1.6221153 -1.639172 0 -0.033277785 0.36881214 2700 1.5532388 -1.7286197 0 -0.19091334 0.1714534 2800 1.6648128 -1.7298542 0 -0.081689467 0.0077427265 2900 1.6548465 -1.7126766 0 -0.074378524 0.096972027 3000 1.604345 -1.7210036 0 -0.13270205 0.25227471 3100 1.67823 -1.6537385 0 0.0077092269 0.13198555 3200 1.4695581 -1.5609142 0 -0.10605159 0.28909806 3300 1.6778332 -1.7396206 0 -0.078565681 0.25069132 3400 1.7588934 -1.680043 0 0.061261505 0.28609454 3500 1.6699117 -1.7762865 0 -0.12307397 0.2584648 3600 1.5951406 -1.6611845 0 -0.081995282 0.35801267 3700 1.5267137 -1.6371603 0 -0.12571366 0.6116418 3800 1.6792717 -1.638182 0 0.024296953 0.43447072 3900 1.5857658 -1.6607833 0 -0.09087513 0.19479457 4000 1.6062152 -1.5436014 0 0.046551586 0.55118141 4100 1.5505892 -1.5259333 0 0.0091500726 0.49075107 4200 1.6933 -1.6314975 0 0.044869524 0.032970187 4300 1.6498743 -1.7298746 0 -0.096499053 0.14837573 4400 1.6535324 -1.7095911 0 -0.072593998 0.24207879 4500 1.835466 -1.7677327 0 0.049378652 0.18168744 4600 1.7346556 -1.6379956 0 0.07931344 0.49973778 4700 1.8050359 -1.8354358 0 -0.048450223 -0.037354111 4800 1.6361661 -1.7741414 0 -0.15433697 0.36409064 4900 1.6511224 -1.7703808 0 -0.13576956 0.23794467 5000 1.6249047 -1.6516641 0 -0.043008453 0.15155643 5100 1.6842561 -1.7128485 0 -0.045434914 0.30999124 5200 1.6153583 -1.630441 0 -0.031236245 -0.0083460068 5300 1.6806066 -1.6907533 0 -0.026952801 0.16886559 5400 1.7541932 -1.7161908 0 0.020460503 0.16560614 5500 1.8643473 -1.7810235 0 0.064680293 0.061200837 5600 1.5963536 -1.6145484 0 -0.034158307 0.47888104 5700 1.7385482 -1.7214092 0 -0.00024648083 0.22078849 5800 1.6726308 -1.6987799 0 -0.042875376 0.46131938 5900 1.7830081 -1.7766484 0 -0.011470422 0.12597212 6000 1.9057941 -1.719849 0 0.16688715 0.37367068 6100 1.6882353 -1.6888488 0 -0.0174959 0.33635307 6200 1.8644261 -1.7435021 0 0.10227973 0.54157135 6300 1.8043895 -1.8169618 0 -0.030616242 0.20596562 6400 1.8745855 -1.7752732 0 0.080566434 0.18365661 6500 1.8330698 -1.6984304 0 0.11630864 0.058109254 6600 1.8006644 -1.7398524 0 0.042805376 0.17509961 6700 1.7471279 -1.7009995 0 0.0286571 0.13439557 6800 1.7077006 -1.7462928 0 -0.055669263 0.16474264 6900 1.7602738 -1.8336138 0 -0.090942793 0.37533762 7000 1.6962037 -1.7746381 0 -0.095396485 0.28764793 7100 1.6040275 -1.652448 0 -0.064460796 0.47621288 7200 1.7595892 -1.6260406 0 0.11595278 0.55174207 7300 1.8031743 -1.7436876 0 0.041454978 0.35699364 7400 1.6575485 -1.5994276 0 0.041545422 0.38389368 7500 1.8539985 -1.6888181 0 0.14664046 0.25524239 7600 1.6721617 -1.6819419 0 -0.026501825 0.18077253 7700 1.4696976 -1.5368001 0 -0.081799475 0.37392274 7800 1.6532125 -1.6604679 0 -0.023787555 0.25683053 7900 1.5890818 -1.711541 0 -0.13834993 0.28943398 8000 1.6729844 -1.674981 0 -0.01872644 0.1725141 8100 1.6041427 -1.7188678 0 -0.13076654 0.22948004 8200 1.7000012 -1.5584259 0 0.12457532 0.82913741 8300 1.6662649 -1.8411986 0 -0.19159634 0.40893581 8400 1.6031593 -1.8225478 0 -0.23542004 0.21287004 8500 1.6615542 -1.685667 0 -0.040728376 0.40063656 8600 1.6094262 -1.7942547 0 -0.20092282 0.28738874 8700 1.6040855 -1.6483081 0 -0.060263486 0.22614876 8800 1.6658931 -1.6751256 0 -0.025891437 0.027723314 8900 1.7989105 -1.7318497 0 0.049071648 0.27645866 9000 1.8242262 -1.6879124 0 0.11807158 0.21701732 9100 1.6795701 -1.6926952 0 -0.029920813 0.28702517 9200 1.8093352 -1.8430841 0 -0.051842329 0.04182244 9300 1.7654746 -1.7580453 0 -0.010225436 0.41460279 9400 1.9494599 -1.7162713 0 0.21369396 0.22445951 9500 1.8650839 -1.6517629 0 0.19467014 0.34042974 9600 1.8080088 -1.651068 0 0.13886064 0.38597156 9700 1.757349 -1.6397227 0 0.10005277 0.12075072 9800 1.8111959 -1.7155458 0 0.077538075 0.023545696 9900 1.7255423 -1.7364511 0 -0.02816423 0.24284116 10000 1.794001 -1.7545014 0 0.021559597 0.15092078 Loop time of 0.461554 on 4 procs for 10000 steps with 100 atoms Performance: 9359693.727 tau/day, 21665.958 timesteps/s, 2.167 Matom-step/s 93.5% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.21335 | 0.24947 | 0.30554 | 7.2 | 54.05 Neigh | 0.0016861 | 0.0018238 | 0.0019357 | 0.2 | 0.40 Comm | 0.078727 | 0.14542 | 0.19247 | 10.9 | 31.51 Output | 0.00086191 | 0.0026451 | 0.0079866 | 6.0 | 0.57 Modify | 0.028228 | 0.029642 | 0.030811 | 0.5 | 6.42 Other | | 0.03255 | | | 7.05 Nlocal: 25 ave 28 max 21 min Histogram: 1 0 0 0 0 1 0 1 0 1 Nghost: 47.5 ave 50 max 46 min Histogram: 2 0 0 0 0 1 0 0 0 1 Neighs: 117.25 ave 144 max 91 min Histogram: 1 0 0 1 0 0 1 0 0 1 Total # of neighbors = 469 Ave neighs/atom = 4.69 Neighbor list builds = 494 Dangerous builds = 0 Total wall time: 0:00:00