LAMMPS (15 May 2015) 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 Neighbor list info ... 1 neighbor list requests update every 1 steps, delay 0 steps, check yes master list distance cutoff = 8.45 Setting up run ... Memory usage per processor = 4.70961 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 7.25305 on 4 procs for 100 steps with 32000 atoms Pair time (%) = 2.52571 (34.8227) Neigh time (%) = 0.500287 (6.8976) Comm time (%) = 3.70236 (51.0456) Outpt time (%) = 0.00146681 (0.0202234) Other time (%) = 0.523229 (7.21391) 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