LAMMPS (18 Feb 2013) # 2d polygon nparticle bodies units lj dimension 2 atom_style body nparticle 2 6 read_data data.body orthogonal box = (-15.5322 -15.5322 -0.5) to (15.5322 15.5322 0.5) 2 by 2 by 1 MPI processor grid 100 atoms 100 bodies velocity all create 1.44 87287 loop geom pair_style body 5.0 pair_coeff * * 1.0 1.0 neighbor 0.3 bin fix 1 all nve/body fix 2 all enforce2d #compute 1 all body/local type 1 2 3 #dump 2 all local 100 dump.body index c_1[1] c_1[2] c_1[3] c_1[4] thermo 500 run 10000 Memory usage per processor = 3.10704 Mbytes Step Temp E_pair E_mol TotEng Press 0 1.44 -0.63799525 0 0.78760475 -0.15028724 500 1.5537157 -1.5243356 0 0.013843001 0.2654775 1000 1.5681616 -1.8003444 0 -0.2478644 0.07601415 1500 1.6994347 -1.7246456 0 -0.042205239 0.36645011 2000 1.6586974 -1.6970115 0 -0.054901078 0.10137999 2500 1.7878623 -1.8213737 0 -0.051390011 0.35530747 3000 1.7043715 -1.6613359 0 0.025991881 0.27048518 3500 1.6313416 -1.5250929 0 0.089935264 0.10510436 4000 1.5883641 -1.7692022 0 -0.1967218 0.50882304 4500 1.5897207 -1.5634198 0 0.010403642 0.24598267 5000 1.4849734 -1.5512049 0 -0.081081244 -0.028399888 5500 1.6074988 -1.7000582 0 -0.10863448 0.42879191 6000 1.6106093 -1.5850749 0 0.0094282394 0.4115976 6500 1.8169151 -1.7996899 0 -0.00094400747 0.21677584 7000 1.5487579 -1.6028263 0 -0.069555913 0.23742891 7500 1.7231927 -1.8001082 0 -0.094147408 -0.016712191 8000 1.5832288 -1.7242109 0 -0.15681439 0.33204 8500 1.9002455 -1.866332 0 0.014911066 0.28393405 9000 1.5916225 -1.6032424 0 -0.027536096 0.48213053 9500 1.6326075 -1.7974673 0 -0.18118584 0.078132294 10000 1.3851677 -1.49406 0 -0.12274404 0.18606978 Loop time of 0.705195 on 4 procs for 10000 steps with 100 atoms Pair time (%) = 0.463261 (65.6926) Neigh time (%) = 0.00452006 (0.640966) Comm time (%) = 0.181194 (25.6941) Outpt time (%) = 0.000352561 (0.0499949) Other time (%) = 0.0558674 (7.92226) Nlocal: 25 ave 25 max 25 min Histogram: 4 0 0 0 0 0 0 0 0 0 Nghost: 43.75 ave 48 max 40 min Histogram: 1 1 0 0 0 0 0 1 0 1 Neighs: 101.5 ave 113 max 91 min Histogram: 1 1 0 0 0 0 0 1 0 1 Total # of neighbors = 406 Ave neighs/atom = 4.06 Neighbor list builds = 805 Dangerous builds = 97