LAMMPS (16 Jul 2018) Reading data file ... orthogonal box = (0 0 0) to (5.431 5.431 5.431) 2 by 2 by 1 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 Anharmonic Dynamical Matrix... Third Order calculation took 0.043923 seconds Finished Calculating Third Order Tensor Loop time of 1.22619e+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 | 0.013707 | 0.016582 | 0.019588 | 2.2 | 0.00 Bond | 8.1341e-05 | 8.7207e-05 | 9.3228e-05 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0.019285 | 0.022435 | 0.025684 | 2.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 1.226e+06 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 4 0 0 0 0 0 0 0 0 0 Nghost: 56 ave 56 max 56 min Histogram: 4 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 4 0 0 0 0 0 0 0 0 0 FullNghs: 32 ave 32 max 32 min Histogram: 4 0 0 0 0 0 0 0 0 0 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