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 ... 6 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 -15.029237 -17.472517 Loop time of 0.0030539 on 1 procs for 31 steps with 6 atoms 131.0% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -15.0292369629 -17.47250966 -17.4725174408 Force two-norm initial, final = 8.80868 0.0286985 Force max component initial, final = 5.34186 0.0118012 Final line search alpha, max atom move = 1 0.0118012 Iterations, force evaluations = 31 89 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0023003 | 0.0023003 | 0.0023003 | 0.0 | 75.32 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 2.408e-05 | 2.408e-05 | 2.408e-05 | 0.0 | 0.79 Output | 0.00062108 | 0.00062108 | 0.00062108 | 0.0 | 20.34 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0.0001085 | | | 3.55 Nlocal: 6 ave 6 max 6 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: 28 ave 28 max 28 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 28 Ave neighs/atom = 4.66667 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00