LAMMPS (16 Jul 2018) Reading data file ... orthogonal box = (0 0 0) to (5.431 5.431 5.431) 1 by 2 by 2 MPI processor grid reading atoms ... 8 atoms Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0 special bond factors coul: 0 0 0 0 = max # of 1-2 neighbors 0 = max # of 1-3 neighbors 0 = max # of 1-4 neighbors 1 = max # of special neighbors Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 4 ghost atom cutoff = 4 binsize = 2, bins = 3 3 3 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair tersoff, perpetual attributes: full, newton on pair build: full/bin stencil: full/bin/3d bin: standard Calculating Dynamical Matrix... Dynamical Matrix calculation took 0.001183 seconds Finished Calculating Dynamical Matrix Loop time of 1.22396e+06 on 4 procs for 0 steps with 8 atoms 0.0% CPU use with 4 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00016781 | 0.00041345 | 0.00051464 | 0.0 | 0.00 Bond | 1.9255e-06 | 2.1775e-06 | 2.4787e-06 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.00056143 | 0.00066602 | 0.00090865 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 1.224e+06 | | |100.00 Nlocal: 2 ave 3 max 1 min Histogram: 1 0 0 0 0 2 0 0 0 1 Nghost: 56 ave 57 max 55 min Histogram: 1 0 0 0 0 2 0 0 0 1 Neighs: 0 ave 0 max 0 min Histogram: 4 0 0 0 0 0 0 0 0 0 FullNghs: 32 ave 48 max 16 min Histogram: 1 0 0 0 0 2 0 0 0 1 Total # of neighbors = 128 Ave neighs/atom = 16 Ave special neighs/atom = 0 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00