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 ... 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 = 9.91118 ghost atom cutoff = 9.91118 binsize = 4.95559, bins = 11 11 11 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up cg style minimization ... Unit style : metal Current step : 0 Per MPI rank memory allocation (min/avg/max) = 5.111 | 5.111 | 5.111 Mbytes PotEng 590.91861 -28.867453 Loop time of 0.000272036 on 1 procs for 19 steps with 5 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 = 590.918605834 -28.8674430692 -28.8674528266 Force two-norm initial, final = 5456.04 0.0195938 Force max component initial, final = 2096.71 0.00969271 Final line search alpha, max atom move = 1 0.00969271 Iterations, force evaluations = 19 34 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 4.5538e-05 | 4.5538e-05 | 4.5538e-05 | 0.0 | 16.74 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 2.861e-06 | 2.861e-06 | 2.861e-06 | 0.0 | 1.05 Output | 0.00019884 | 0.00019884 | 0.00019884 | 0.0 | 73.09 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 2.48e-05 | | | 9.11 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: 10 ave 10 max 10 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 10 Ave neighs/atom = 2 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00