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 ... 5 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 -11.32631 -15.840952 Loop time of 0.00191283 on 1 procs for 19 steps with 5 atoms 209.1% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -11.326309992 -15.8409481308 -15.8409521707 Force two-norm initial, final = 18.9874 0.00600871 Force max component initial, final = 12.5176 0.00267132 Final line search alpha, max atom move = 1 0.00267132 Iterations, force evaluations = 19 33 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0014896 | 0.0014896 | 0.0014896 | 0.0 | 77.88 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 1.2159e-05 | 1.2159e-05 | 1.2159e-05 | 0.0 | 0.64 Output | 0.00035238 | 0.00035238 | 0.00035238 | 0.0 | 18.42 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 5.865e-05 | | | 3.07 Nlocal: 5 ave 5 max 5 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: 20 ave 20 max 20 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 20 Ave neighs/atom = 4 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00