LAMMPS (7 Jul 2009) Lattice spacing in x,y,z = 3.615 3.615 3.615 Created orthogonal box = (-65.07 -10.845 -10.845) to (65.07 10.845 10.845) 1 by 1 by 1 processor grid Created 4896 atoms 4608 atoms in group internal Constructing ATC transfer (hardy) atomPE compute created with ID: 3 ATC:: created FEM Mesh with 40 Global Nodes, 10 Unique Nodes, and 9 Elements Setting up run ... ATC:: computing bond matrix ...........done ATC:: conversion factor for energy/vol -> stress 1.60218e+06 ATC:: cutoff radius 4.95 Memory usage per processor = 8.29119 Mbytes Step PotEng KinEng Press Lx Ly Lz 0 -17256.022 0 -2117.8338 130.14 21.69 21.69 1 -17256.022 0 -2117.8338 130.14 21.69 21.69 Loop time of 0.0511031 on 1 procs for 1 steps with 4896 atoms Pair time (%) = 0.017396 (34.0409) Neigh time (%) = 0 (0) Comm time (%) = 0.000231981 (0.453947) Outpt time (%) = 0.000114918 (0.224874) Other time (%) = 0.0333602 (65.2803) Nlocal: 4896 ave 4896 max 4896 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 6120 ave 6120 max 6120 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 130032 ave 130032 max 130032 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 260064 ave 260064 max 260064 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 260064 Ave neighs/atom = 53.1176 Neighbor list builds = 0 Dangerous builds = 0 System init for displace_atoms ... Displacing atoms ... ATC:: Warning : text output can create _LARGE_ files Setting up run ... ATC:: conversion factor for energy/vol -> stress 1.60218e+06 ATC:: cutoff radius 4.95 Memory usage per processor = 8.52007 Mbytes Step PotEng KinEng Press Lx Ly Lz 1 -17252.771 0 -14787.592 130.14 21.69 21.69 2 -17252.771 0 -14787.592 130.14 21.69 21.69 Loop time of 0.253512 on 1 procs for 1 steps with 4896 atoms Pair time (%) = 0.017252 (6.80518) Neigh time (%) = 0 (0) Comm time (%) = 8.2016e-05 (0.0323519) Outpt time (%) = 0.000113964 (0.0449541) Other time (%) = 0.236064 (93.1175) Nlocal: 4896 ave 4896 max 4896 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 6120 ave 6120 max 6120 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 130032 ave 130032 max 130032 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 260064 ave 260064 max 260064 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 260064 Ave neighs/atom = 53.1176 Neighbor list builds = 0 Dangerous builds = 0