LAMMPS (15 Jun 2020) Reading data file ... orthogonal box = (0.0 0.0 0.0) to (5.431 5.431 5.431) 1 by 1 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 special bonds CPU = 4.2e-05 secs read_data CPU = 0.001 secs Reading potential file ../../../../../potentials/SiCGe.tersoff with DATE: 2009-03-18 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 ... Total # of atoms = 8 Atoms in group = 8 Total dynamical matrix elements = 576 10% 20% 30% 50% 60% 70% 80%[3.34264870e-05 6.09176101e-05 1.72068597e-04 1.60807822e+01 1.60807027e+01 1.60806903e+01 1.48964054e+01 1.49012648e+01 1.49129598e+01 1.49081641e+01 1.48999471e+01 1.49095175e+01 1.21983946e+01 1.21957091e+01 1.22010862e+01 1.22037817e+01 1.22037910e+01 1.22037868e+01 6.89648276e+00 6.89524412e+00 6.89619622e+00 6.89553366e+00 6.89615471e+00 6.89557491e+00] Finished Calculating Dynamical Matrix Loop time of 0.000677109 on 1 procs for 48 steps with 8 atoms Performance: 6124.865 ns/day, 0.004 hours/ns, 70889.645 timesteps/s 91.3% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00064349 | 0.00064349 | 0.00064349 | 0.0 | 95.04 Bond | 9.5367e-07 | 9.5367e-07 | 9.5367e-07 | 0.0 | 0.14 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 1.1683e-05 | 1.1683e-05 | 1.1683e-05 | 0.0 | 1.73 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 9.5367e-07 | 9.5367e-07 | 9.5367e-07 | 0.0 | 0.14 Other | | 2.003e-05 | | | 2.96 Nlocal: 8 ave 8 max 8 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 86 ave 86 max 86 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 128 ave 128 max 128 min Histogram: 1 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 = 1 Dangerous builds = 0 Total wall time: 0:00:00