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 2.9851315 -11.92681 Loop time of 0.00309515 on 1 procs for 45 steps with 6 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 = 2.98513147865 -11.9268003517 -11.9268098143 Force two-norm initial, final = 44.7114 0.0116574 Force max component initial, final = 22.3634 0.00500088 Final line search alpha, max atom move = 1 0.00500088 Iterations, force evaluations = 45 78 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0020008 | 0.0020008 | 0.0020008 | 0.0 | 64.64 Neigh | 1.502e-05 | 1.502e-05 | 1.502e-05 | 0.0 | 0.49 Comm | 2.6226e-05 | 2.6226e-05 | 2.6226e-05 | 0.0 | 0.85 Output | 0.00094438 | 0.00094438 | 0.00094438 | 0.0 | 30.51 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0.0001087 | | | 3.51 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: 28 ave 28 max 28 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 28 Ave neighs/atom = 4.66667 Neighbor list builds = 2 Dangerous builds = 0 Total wall time: 0:00:00