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 ... 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 = 5.59552 ghost atom cutoff = 5.59552 binsize = 2.79776, bins = 18 18 18 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 5.59552 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) = 5.205 | 5.205 | 5.205 Mbytes PotEng -5.7329184 -11.423128 Loop time of 0.00145888 on 1 procs for 35 steps with 6 atoms 100.0% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -5.7329184243 -11.4231234114 -11.4231284441 Force two-norm initial, final = 21.0221 0.00532727 Force max component initial, final = 12.6416 0.00215464 Final line search alpha, max atom move = 1 0.00215464 Iterations, force evaluations = 35 56 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00085664 | 0.00085664 | 0.00085664 | 0.0 | 58.72 Neigh | 1.9073e-05 | 1.9073e-05 | 1.9073e-05 | 0.0 | 1.31 Comm | 3.8147e-06 | 3.8147e-06 | 3.8147e-06 | 0.0 | 0.26 Output | 0.00052309 | 0.00052309 | 0.00052309 | 0.0 | 35.86 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 5.627e-05 | | | 3.86 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: 30 ave 30 max 30 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 30 Ave neighs/atom = 5 Neighbor list builds = 1 Dangerous builds = 0 Total wall time: 0:00:00