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 -4.7766623 -8.7217635 Loop time of 0.00109696 on 1 procs for 17 steps with 5 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 = -4.77666228191 -8.72176007099 -8.72176347651 Force two-norm initial, final = 18.243 0.246597 Force max component initial, final = 10.9659 0.11754 Final line search alpha, max atom move = 0.520758 0.06121 Iterations, force evaluations = 17 26 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00073981 | 0.00073981 | 0.00073981 | 0.0 | 67.44 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 5.4836e-06 | 5.4836e-06 | 5.4836e-06 | 0.0 | 0.50 Output | 0.00030088 | 0.00030088 | 0.00030088 | 0.0 | 27.43 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 5.078e-05 | | | 4.63 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