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 ... 6 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 ghost atom cutoff = 5 binsize = 2.5, bins = 20 20 20 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) = 5.179 | 5.179 | 5.179 Mbytes PotEng 34.70277 -13.969783 Loop time of 0.00115299 on 1 procs for 42 steps with 6 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 = 34.7027703711 -13.9697759953 -13.9697831474 Force two-norm initial, final = 162.198 0.0112796 Force max component initial, final = 88.5748 0.0046492 Final line search alpha, max atom move = 1 0.0046492 Iterations, force evaluations = 42 70 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00057101 | 0.00057101 | 0.00057101 | 0.0 | 49.52 Neigh | 2.0981e-05 | 2.0981e-05 | 2.0981e-05 | 0.0 | 1.82 Comm | 6.1989e-06 | 6.1989e-06 | 6.1989e-06 | 0.0 | 0.54 Output | 0.00050306 | 0.00050306 | 0.00050306 | 0.0 | 43.63 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 5.174e-05 | | | 4.49 Nlocal: 6 ave 6 max 6 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: 28 ave 28 max 28 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 28 Ave neighs/atom = 4.66667 Neighbor list builds = 1 Dangerous builds = 0 Total wall time: 0:00:00