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 ... 3 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 -8.0331829 -9.5136323 Loop time of 0.000111103 on 1 procs for 9 steps with 3 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 = -8.03318289127 -9.51362927508 -9.51363232522 Force two-norm initial, final = 8.14134 0.00427727 Force max component initial, final = 6.1888 0.00255743 Final line search alpha, max atom move = 1 0.00255743 Iterations, force evaluations = 9 23 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 2.718e-05 | 2.718e-05 | 2.718e-05 | 0.0 | 24.46 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 4.0531e-06 | 4.0531e-06 | 4.0531e-06 | 0.0 | 3.65 Output | 6.3658e-05 | 6.3658e-05 | 6.3658e-05 | 0.0 | 57.30 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 1.621e-05 | | | 14.59 Nlocal: 3 ave 3 max 3 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: 3 ave 3 max 3 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 3 Ave neighs/atom = 1 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00