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 ... 7 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 = 5.05 ghost atom cutoff = 5.05 binsize = 2.525, bins = 20 20 20 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton on 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) = 5.155 | 5.155 | 5.155 Mbytes PotEng -18.60305 -22.08918 Loop time of 0.000995159 on 1 procs for 18 steps with 7 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 = -18.6030504483 -22.0891777225 -22.0891803954 Force two-norm initial, final = 15.41 0.0561965 Force max component initial, final = 7.06146 0.0302759 Final line search alpha, max atom move = 0.5 0.015138 Iterations, force evaluations = 18 39 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0007143 | 0.0007143 | 0.0007143 | 0.0 | 71.78 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 5.722e-06 | 5.722e-06 | 5.722e-06 | 0.0 | 0.57 Output | 0.00023651 | 0.00023651 | 0.00023651 | 0.0 | 23.77 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 3.862e-05 | | | 3.88 Nlocal: 7 ave 7 max 7 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: 42 ave 42 max 42 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 42 Ave neighs/atom = 6 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00