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 = 5.77118 ghost atom cutoff = 5.77118 binsize = 2.88559, bins = 18 18 18 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) = 5.142 | 5.142 | 5.142 Mbytes PotEng 9.9360804 -16.893546 Loop time of 0.00414705 on 1 procs for 38 steps with 7 atoms 96.5% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = 9.93608037235 -16.8935421282 -16.8935464525 Force two-norm initial, final = 64.7034 0.0079322 Force max component initial, final = 28.682 0.00290749 Final line search alpha, max atom move = 1 0.00290749 Iterations, force evaluations = 38 55 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0031095 | 0.0031095 | 0.0031095 | 0.0 | 74.98 Neigh | 9.0599e-06 | 9.0599e-06 | 9.0599e-06 | 0.0 | 0.22 Comm | 7.8678e-06 | 7.8678e-06 | 7.8678e-06 | 0.0 | 0.19 Output | 0.00087833 | 0.00087833 | 0.00087833 | 0.0 | 21.18 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0.0001423 | | | 3.43 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 = 1 Dangerous builds = 0 Total wall time: 0:00:00