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) 1 by 1 by 1 MPI processor grid reading atoms ... 100 atoms 100 bodies read_data CPU = 0.002 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) = 5.279 | 5.279 | 5.279 Mbytes Step Temp E_pair E_mol TotEng Press 0 1.44 -0.63799525 0 0.78760475 -0.15028724 100 1.6423694 -1.0001516 0 0.62579417 0.16116443 200 1.4802187 -1.2479519 0 0.21746458 0.35445329 300 1.4734223 -1.3213583 0 0.1373298 0.45266192 400 1.5118818 -1.5924889 0 -0.095725867 0.13296961 500 1.5471951 -1.630886 0 -0.099162814 0.12439793 600 1.6264248 -1.6468162 0 -0.03665568 0.43392484 700 1.597475 -1.6539821 0 -0.072481849 0.13128147 800 1.6841531 -1.775776 0 -0.10846445 -0.032960346 900 1.556262 -1.6750139 0 -0.1343146 0.53484605 1000 1.6272373 -1.7572956 0 -0.14633067 0.18431831 1100 1.6448235 -1.7176556 0 -0.089280316 0.25900065 1200 1.5486928 -1.6481004 0 -0.11489454 0.036934194 1300 1.7449183 -1.6039068 0 0.12356231 -0.071099427 1400 1.668581 -1.5939776 0 0.057917584 0.02239666 1500 1.6514223 -1.7086624 0 -0.073754397 0.39021328 1600 1.8367415 -1.808017 0 0.010357066 0.1405097 1700 1.6439993 -1.7711084 0 -0.14354908 0.37488252 1800 1.8105437 -1.7312044 0 0.061233893 0.033817829 1900 1.7745557 -1.7184539 0 0.038356243 0.26826112 2000 1.4919032 -1.7635799 0 -0.28659575 0.32901186 2100 1.5086111 -1.5151192 0 -0.021594146 0.37082072 2200 1.4464813 -1.5702682 0 -0.13825163 -0.043079808 2300 1.398236 -1.5359564 0 -0.15170277 0.14467017 2400 1.5050139 -1.6002694 0 -0.11030569 0.30358205 2500 1.5549789 -1.652805 0 -0.11337589 0.2916046 2600 1.4774593 -1.5406116 0 -0.077926888 0.020921323 2700 1.3700851 -1.5855698 0 -0.22918557 0.22226615 2800 1.4656869 -1.629742 0 -0.17871195 -0.0090503155 2900 1.4355808 -1.6486992 0 -0.22747424 0.12741636 3000 1.5859288 -1.5467092 0 0.023360382 0.23081334 3100 1.6099287 -1.4917881 0 0.10204129 0.22085916 3200 1.6814814 -1.554998 0 0.10966853 0.10312492 3300 1.5319494 -1.4723195 0 0.044310484 0.18583117 3400 1.5124418 -1.499312 0 -0.0019945387 0.15564425 3500 1.6106798 -1.5568215 0 0.037751529 0.27433785 3600 1.460087 -1.5530078 0 -0.10752165 0.0073889211 3700 1.5744452 -1.5720821 0 -0.013381308 0.27735962 3800 1.7290106 -1.6504739 0 0.061246632 0.48173619 3900 1.611197 -1.6452216 0 -0.05013663 0.4286963 4000 1.6715425 -1.6409258 0 0.013901267 0.017020657 4100 1.6913694 -1.5885259 0 0.085929717 0.13679669 4200 1.5347633 -1.6316222 0 -0.11220653 0.024396005 4300 1.5221369 -1.5924627 0 -0.085547139 0.29634927 4400 1.7020273 -1.7069204 0 -0.021913362 0.12700619 4500 1.7176336 -1.7439335 0 -0.043476251 0.14745343 4600 1.4409943 -1.6121558 0 -0.18557152 0.018887675 4700 1.7868207 -1.6707762 0 0.098176247 0.20004565 4800 1.8720226 -1.7000206 0 0.15328178 0.25661867 4900 1.7128343 -1.7289913 0 -0.033285317 0.24698662 5000 1.7242114 -1.6662075 0 0.040761785 0.18935677 5100 1.7589418 -1.7267393 0 0.014613086 0.40918365 5200 1.7138074 -1.778402 0 -0.081732715 0.39679805 5300 1.8149032 -1.7708654 0 0.025888786 0.29874434 5400 1.7140097 -1.6444743 0 0.052395323 0.62588743 5500 1.8076873 -1.7276245 0 0.061985946 0.25434646 5600 1.7137948 -1.678778 0 0.017878859 0.21062182 5700 1.8625614 -1.7114074 0 0.1325284 0.14365823 5800 1.667941 -1.6462142 0 0.0050473638 0.36134037 5900 1.7080521 -1.6919526 0 -0.00098107526 0.27472252 6000 1.7180315 -1.6677683 0 0.033082909 0.29905397 6100 1.8264687 -1.6837934 0 0.12441065 0.033504487 6200 1.757998 -1.634503 0 0.10591508 0.14360478 6300 1.6444838 -1.5734502 0 0.05458881 0.50314779 6400 1.7213235 -1.705482 0 -0.0013717454 -0.063375271 6500 1.5454026 -1.7236013 0 -0.19365272 0.21355367 6600 1.7550617 -1.7304462 0 0.0070648556 0.1782743 6700 1.6931304 -1.7005361 0 -0.024337029 0.31165135 6800 1.7953505 -1.7377126 0 0.039684354 0.27052592 6900 1.6547086 -1.6971987 0 -0.059037125 0.26390513 7000 1.678321 -1.6343689 0 0.027168906 0.23632145 7100 1.6389472 -1.690589 0 -0.068031265 0.26471258 7200 1.6772509 -1.7305397 0 -0.070061301 0.16013956 7300 1.7401473 -1.7461921 0 -0.023446315 0.14462402 7400 1.7381776 -1.6586839 0 0.06211186 0.47746891 7500 1.7184021 -1.8309755 0 -0.1297574 0.27706616 7600 1.8404039 -1.7957552 0 0.026244663 0.12898128 7700 1.8474196 -1.7118818 0 0.11706359 0.1959609 7800 1.7635506 -1.6119363 0 0.1339788 0.086260229 7900 1.5873929 -1.5651473 0 0.0063716922 0.0010935251 8000 1.6394989 -1.5900851 0 0.033018817 0.41301427 8100 1.6731865 -1.6981463 0 -0.041691712 0.46624156 8200 1.7728067 -1.7515658 0 0.0035128109 0.16520115 8300 1.6142221 -1.8030321 0 -0.20495225 0.039485737 8400 1.6775678 -1.8266472 0 -0.16585509 0.074514313 8500 1.8399403 -1.8100014 0 0.011539538 0.38126754 8600 1.8259529 -1.6641902 0 0.14350318 0.80219793 8700 1.8454807 -1.68448 0 0.14254593 0.18855669 8800 1.7017088 -1.7219601 0 -0.037268433 0.36465692 8900 1.612135 -1.5813013 0 0.014712431 0.21657263 9000 1.5992353 -1.7093785 0 -0.12613559 0.038933966 9100 1.7486466 -1.7024749 0 0.028685202 0.28688996 9200 1.546781 -1.6512407 0 -0.1199275 0.16188207 9300 1.8424683 -1.7304781 0 0.093565478 0.35295164 9400 1.7646311 -1.7795324 0 -0.032547636 0.39114207 9500 1.8061763 -1.8458669 0 -0.057752329 0.18930255 9600 1.6953348 -1.7144901 0 -0.036108734 0.18392219 9700 1.693168 -1.5860306 0 0.090205689 0.18749665 9800 1.6057784 -1.6478049 0 -0.05808426 0.28339031 9900 1.712654 -1.6566387 0 0.038888773 0.52108885 10000 1.7102385 -1.6670768 0 0.026059337 0.073458218 Loop time of 1.09582 on 1 procs for 10000 steps with 100 atoms Performance: 3942257.351 tau/day, 9125.596 timesteps/s, 912.560 katom-step/s 99.8% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.95651 | 0.95651 | 0.95651 | 0.0 | 87.29 Neigh | 0.0064365 | 0.0064365 | 0.0064365 | 0.0 | 0.59 Comm | 0.015238 | 0.015238 | 0.015238 | 0.0 | 1.39 Output | 0.00059554 | 0.00059554 | 0.00059554 | 0.0 | 0.05 Modify | 0.10993 | 0.10993 | 0.10993 | 0.0 | 10.03 Other | | 0.007113 | | | 0.65 Nlocal: 100 ave 100 max 100 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 80 ave 80 max 80 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 448 ave 448 max 448 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 448 Ave neighs/atom = 4.48 Neighbor list builds = 463 Dangerous builds = 0 Total wall time: 0:00:01