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 = 4.96 ghost atom cutoff = 4.96 binsize = 2.48, bins = 21 21 21 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) = 5.163 | 5.163 | 5.163 Mbytes PotEng -19.064748 -19.968049 Loop time of 0.00173497 on 1 procs for 20 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 = -19.0647482934 -19.9680339942 -19.9680487406 Force two-norm initial, final = 4.87979 0.0130701 Force max component initial, final = 1.92405 0.0088364 Final line search alpha, max atom move = 1 0.0088364 Iterations, force evaluations = 20 40 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0012002 | 0.0012002 | 0.0012002 | 0.0 | 69.18 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 1.4067e-05 | 1.4067e-05 | 1.4067e-05 | 0.0 | 0.81 Output | 0.00045848 | 0.00045848 | 0.00045848 | 0.0 | 26.43 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 6.223e-05 | | | 3.59 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 = 0 Dangerous builds = 0 Total wall time: 0:00:00