LAMMPS (15 Feb 2016) # 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 reading atoms ... 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 1 all local 100 dump.body index c_1[1] c_1[2] c_1[3] c_1[4] thermo 500 run 10000 Neighbor list info ... 1 neighbor list requests update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 5.3 ghost atom cutoff = 5.3 binsize = 2.65 -> bins = 12 12 1 Memory usage per processor = 3.93947 Mbytes Step Temp E_pair E_mol TotEng Press 0 1.44 -0.63799525 0 0.78760475 -0.15028724 500 1.5681124 -1.6060641 0 -0.053632801 0.23819933 1000 1.7596217 -1.7290976 0 0.012927885 0.12600944 1500 1.5746718 -1.5427933 0 0.016131767 0.21832856 2000 1.6187614 -1.5563097 0 0.046264104 0.35910742 2500 1.7210993 -1.6955088 0 0.0083794889 0.24522984 3000 1.7893309 -1.752166 0 0.019271611 0.1013425 3500 1.8922335 -1.7645965 0 0.10871463 0.51383163 4000 1.7068531 -1.6754593 0 0.014325271 0.31615632 4500 1.6924784 -1.7467381 0 -0.071184511 0.13138777 5000 1.7693873 -1.7177224 0 0.033971031 0.15253256 5500 1.6829564 -1.6729159 0 -0.0067890531 0.13745591 6000 1.9528594 -1.8229135 0 0.11041735 0.21444568 6500 1.8827185 -2.0037589 0 -0.13986752 0.044294616 7000 1.4723386 -1.6538512 0 -0.19623597 0.23973507 7500 1.7787216 -1.729955 0 0.030979334 0.15662931 8000 1.8821398 -1.8913154 0 -0.027996988 0.26972798 8500 1.7200393 -1.771927 0 -0.069088004 0.48600924 9000 1.6731944 -1.702556 0 -0.046093535 0.1259234 9500 1.7159449 -1.6430047 0 0.0557808 0.3620955 10000 1.4879693 -1.5303732 0 -0.057283589 0.34668456 Loop time of 0.853475 on 4 procs for 10000 steps with 100 atoms Performance: 5061659.129 tau/day, 11716.804 timesteps/s 99.5% CPU use with 4 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.48406 | 0.55202 | 0.69789 | 11.6 | 64.68 Neigh | 0.0044043 | 0.0046293 | 0.0049062 | 0.3 | 0.54 Comm | 0.091245 | 0.24104 | 0.30869 | 18.0 | 28.24 Output | 0.00033712 | 0.00036192 | 0.00039911 | 0.1 | 0.04 Modify | 0.040754 | 0.042422 | 0.044837 | 0.7 | 4.97 Other | | 0.013 | | | 1.52 Nlocal: 25 ave 29 max 20 min Histogram: 1 0 0 0 0 1 1 0 0 1 Nghost: 44 ave 45 max 43 min Histogram: 1 0 0 0 0 2 0 0 0 1 Neighs: 104 ave 133 max 64 min Histogram: 1 0 0 1 0 0 0 0 0 2 Total # of neighbors = 416 Ave neighs/atom = 4.16 Neighbor list builds = 773 Dangerous builds = 31 Total wall time: 0:00:00