LAMMPS (24 Oct 2018) Reading data file ... orthogonal box = (-25 -25 -25) to (25 25 25) 1 by 1 by 1 MPI processor grid reading atoms ... 3 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 = 5.77118 ghost atom cutoff = 5.77118 binsize = 2.88559, bins = 18 18 18 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 5.77118 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) = 5.204 | 5.204 | 5.204 Mbytes PotEng -4.0334315 -4.7419654 Loop time of 0.00030899 on 1 procs for 20 steps with 3 atoms 33.7% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -4.03343152155 -4.74196248989 -4.74196541594 Force two-norm initial, final = 6.20752 0.00535412 Force max component initial, final = 4.09741 0.00391485 Final line search alpha, max atom move = 1 0.00391485 Iterations, force evaluations = 20 36 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00012088 | 0.00012088 | 0.00012088 | 0.0 | 39.12 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 3.0994e-06 | 3.0994e-06 | 3.0994e-06 | 0.0 | 1.00 Output | 0.00016737 | 0.00016737 | 0.00016737 | 0.0 | 54.17 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 1.764e-05 | | | 5.71 Nlocal: 3 ave 3 max 3 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: 6 ave 6 max 6 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 6 Ave neighs/atom = 2 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00