LAMMPS (11 Aug 2017) Reading data file ... orthogonal box = (-25 -25 -25) to (25 25 25) 1 by 1 by 1 MPI processor grid reading atoms ... 4 atoms WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:168) Neighbor list info ... update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 4.96 ghost atom cutoff = 4.96 binsize = 2.48, bins = 21 21 21 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton on pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up cg style minimization ... Unit style : metal Current step : 0 Per MPI rank memory allocation (min/avg/max) = 5.162 | 5.162 | 5.162 Mbytes PotEng 0.24247985 -6.4800001 Loop time of 0.000149965 on 1 procs for 8 steps with 4 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = 0.242479849729 -6.48000010506 -6.48000013572 Force two-norm initial, final = 46.7068 3.91495e-06 Force max component initial, final = 23.955 1.71366e-06 Final line search alpha, max atom move = 1 1.71366e-06 Iterations, force evaluations = 8 14 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 3.3379e-05 | 3.3379e-05 | 3.3379e-05 | 0.0 | 22.26 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 9.5367e-07 | 9.5367e-07 | 9.5367e-07 | 0.0 | 0.64 Output | 0.00010085 | 0.00010085 | 0.00010085 | 0.0 | 67.25 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 1.478e-05 | | | 9.86 Nlocal: 4 ave 4 max 4 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 0 ave 0 max 0 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: 12 ave 12 max 12 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 12 Ave neighs/atom = 3 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00