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 ... 5 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 = 20.5307 ghost atom cutoff = 20.5307 binsize = 10.2653, bins = 5 5 5 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 20.5307 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 -23.55134 -28.867455 Loop time of 0.00050807 on 1 procs for 18 steps with 5 atoms 25.2% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -23.5513395872 -28.8674485817 -28.8674552718 Force two-norm initial, final = 21.5095 0.0126668 Force max component initial, final = 11.9215 0.00538334 Final line search alpha, max atom move = 1 0.00538334 Iterations, force evaluations = 18 34 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00011134 | 0.00011134 | 0.00011134 | 0.0 | 21.91 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 1.9073e-06 | 1.9073e-06 | 1.9073e-06 | 0.0 | 0.38 Output | 0.00034952 | 0.00034952 | 0.00034952 | 0.0 | 68.79 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 4.53e-05 | | | 8.92 Nlocal: 5 ave 5 max 5 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: 20 ave 20 max 20 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 20 Ave neighs/atom = 4 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00