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 = 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 30.53889 -14.949604 Loop time of 0.00327301 on 1 procs for 32 steps with 6 atoms 122.2% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = 30.5388901006 -14.9495920668 -14.9496042275 Force two-norm initial, final = 105.414 0.0202783 Force max component initial, final = 44.0492 0.0097475 Final line search alpha, max atom move = 1 0.0097475 Iterations, force evaluations = 32 58 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0024915 | 0.0024915 | 0.0024915 | 0.0 | 76.12 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 2.2173e-05 | 2.2173e-05 | 2.2173e-05 | 0.0 | 0.68 Output | 0.00068212 | 0.00068212 | 0.00068212 | 0.0 | 20.84 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 7.725e-05 | | | 2.36 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: 30 ave 30 max 30 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 30 Ave neighs/atom = 5 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00