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 = 5.55547 ghost atom cutoff = 5.55547 binsize = 2.77773, bins = 19 19 19 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) = 5.148 | 5.148 | 5.148 Mbytes PotEng -4.7876897 -8.5708223 Loop time of 0.00209618 on 1 procs for 43 steps with 5 atoms 190.8% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -4.78768966592 -8.57081726187 -8.57082234759 Force two-norm initial, final = 11.5697 0.0119 Force max component initial, final = 4.69749 0.00541802 Final line search alpha, max atom move = 1 0.00541802 Iterations, force evaluations = 43 74 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0011961 | 0.0011961 | 0.0011961 | 0.0 | 57.06 Neigh | 7.8678e-06 | 7.8678e-06 | 7.8678e-06 | 0.0 | 0.38 Comm | 2.2173e-05 | 2.2173e-05 | 2.2173e-05 | 0.0 | 1.06 Output | 0.0007844 | 0.0007844 | 0.0007844 | 0.0 | 37.42 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 8.559e-05 | | | 4.08 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 = 1 Dangerous builds = 0 Total wall time: 0:00:00