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 -6.4742844 -13.005194 Loop time of 0.00179505 on 1 procs for 54 steps with 6 atoms 100.1% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -6.47428440332 -13.0051870689 -13.0051935004 Force two-norm initial, final = 24.4843 0.00733948 Force max component initial, final = 12.6013 0.00337893 Final line search alpha, max atom move = 1 0.00337893 Iterations, force evaluations = 54 99 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00084257 | 0.00084257 | 0.00084257 | 0.0 | 46.94 Neigh | 2.3127e-05 | 2.3127e-05 | 2.3127e-05 | 0.0 | 1.29 Comm | 1.3113e-05 | 1.3113e-05 | 1.3113e-05 | 0.0 | 0.73 Output | 0.00083876 | 0.00083876 | 0.00083876 | 0.0 | 46.73 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 7.749e-05 | | | 4.32 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