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 -11.908004 -15.799065 Loop time of 0.00575304 on 1 procs for 46 steps with 7 atoms 69.5% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -11.90800378 -15.7990617899 -15.7990652006 Force two-norm initial, final = 16.182 0.171664 Force max component initial, final = 6.68115 0.0809706 Final line search alpha, max atom move = 0.555826 0.0450056 Iterations, force evaluations = 46 97 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0044937 | 0.0044937 | 0.0044937 | 0.0 | 78.11 Neigh | 1.1206e-05 | 1.1206e-05 | 1.1206e-05 | 0.0 | 0.19 Comm | 3.5286e-05 | 3.5286e-05 | 3.5286e-05 | 0.0 | 0.61 Output | 0.0010965 | 0.0010965 | 0.0010965 | 0.0 | 19.06 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0.0001163 | | | 2.02 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: 38 ave 38 max 38 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 38 Ave neighs/atom = 5.42857 Neighbor list builds = 1 Dangerous builds = 0 Total wall time: 0:00:00