LAMMPS (7 Aug 2013) Lattice spacing in x,y,z = 4.43 4.43 4.43 Created orthogonal box = (0 0 0) to (88.6 88.6 88.6) 1 by 2 by 2 MPI processor grid Created 32000 atoms Setting up run ... Memory usage per processor = 5.52322 Mbytes Step Temp E_pair E_mol TotEng Press 0 200 -741.55469 0 85.684388 -34.939092 100 108.37517 -362.56658 0 85.694308 3963.7892 Loop time of 1.69624 on 4 procs for 100 steps with 32000 atoms Pair time (%) = 1.40092 (82.5896) Neigh time (%) = 0.189553 (11.1749) Comm time (%) = 0.0761309 (4.48821) Outpt time (%) = 5.59688e-05 (0.00329957) Other time (%) = 0.0295833 (1.74405) Nlocal: 8000 ave 8010 max 7989 min Histogram: 1 0 0 0 0 2 0 0 0 1 Nghost: 9240.25 ave 9249 max 9228 min Histogram: 1 0 0 0 1 0 0 0 0 2 Neighs: 555266 ave 555920 max 554805 min Histogram: 2 0 0 0 0 1 0 0 0 1 Total # of neighbors = 2221065 Ave neighs/atom = 69.4083 Neighbor list builds = 5 Dangerous builds = 0