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 = 5.77118 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) = 5.205 | 5.205 | 5.205 Mbytes PotEng 10.337294 -14.021906 Loop time of 0.000844002 on 1 procs for 22 steps with 6 atoms 33.4% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = 10.3372938636 -14.0218982529 -14.0219056236 Force two-norm initial, final = 61.4222 0.00922724 Force max component initial, final = 28.6438 0.00432657 Final line search alpha, max atom move = 1 0.00432657 Iterations, force evaluations = 22 34 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00051427 | 0.00051427 | 0.00051427 | 0.0 | 60.93 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 4.0531e-06 | 4.0531e-06 | 4.0531e-06 | 0.0 | 0.48 Output | 0.00028181 | 0.00028181 | 0.00028181 | 0.0 | 33.39 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 4.387e-05 | | | 5.20 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 = 0 Dangerous builds = 0 Total wall time: 0:00:00