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 = 5.1 ghost atom cutoff = 5.1 binsize = 2.55, bins = 20 20 20 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) = 5.155 | 5.155 | 5.155 Mbytes PotEng 8.7471958 -10.346133 Loop time of 0.00117493 on 1 procs for 22 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 = 8.74719577497 -10.3461293676 -10.3461331924 Force two-norm initial, final = 63.3072 0.0044767 Force max component initial, final = 22.5567 0.00238496 Final line search alpha, max atom move = 1 0.00238496 Iterations, force evaluations = 22 36 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00071025 | 0.00071025 | 0.00071025 | 0.0 | 60.45 Neigh | 9.0599e-06 | 9.0599e-06 | 9.0599e-06 | 0.0 | 0.77 Comm | 1.0014e-05 | 1.0014e-05 | 1.0014e-05 | 0.0 | 0.85 Output | 0.00038815 | 0.00038815 | 0.00038815 | 0.0 | 33.04 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 5.746e-05 | | | 4.89 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