LAMMPS (31 Mar 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: Resetting reneighboring criteria 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 ghost atom cutoff = 5 binsize = 2.5, 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 Per MPI rank memory allocation (min/avg/max) = 5.18 | 5.18 | 5.18 Mbytes PotEng -11.297736 -17.52239 Loop time of 0.00265694 on 1 procs for 33 steps with 7 atoms 150.5% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -11.2977357152 -17.5223815551 -17.522389956 Force two-norm initial, final = 24.8952 0.221419 Force max component initial, final = 10.6368 0.121982 Final line search alpha, max atom move = 0.10165 0.0123994 Iterations, force evaluations = 33 59 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0017715 | 0.0017715 | 0.0017715 | 0.0 | 66.67 Neigh | 1.2875e-05 | 1.2875e-05 | 1.2875e-05 | 0.0 | 0.48 Comm | 1.7166e-05 | 1.7166e-05 | 1.7166e-05 | 0.0 | 0.65 Output | 0.00077176 | 0.00077176 | 0.00077176 | 0.0 | 29.05 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 8.368e-05 | | | 3.15 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: 36 ave 36 max 36 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 36 Ave neighs/atom = 5.14286 Neighbor list builds = 1 Dangerous builds = 0 Total wall time: 0:00:00