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 ... 4 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 1.7211548 -6.5045992 Loop time of 0.00070405 on 1 procs for 18 steps with 4 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 = 1.72115476478 -6.50459489086 -6.50459922858 Force two-norm initial, final = 29.5394 0.00514645 Force max component initial, final = 12.3602 0.00311709 Final line search alpha, max atom move = 1 0.00311709 Iterations, force evaluations = 18 28 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0003562 | 0.0003562 | 0.0003562 | 0.0 | 50.59 Neigh | 7.8678e-06 | 7.8678e-06 | 7.8678e-06 | 0.0 | 1.12 Comm | 1.812e-05 | 1.812e-05 | 1.812e-05 | 0.0 | 2.57 Output | 0.00027251 | 0.00027251 | 0.00027251 | 0.0 | 38.71 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 4.935e-05 | | | 7.01 Nlocal: 4 ave 4 max 4 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: 12 ave 12 max 12 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 12 Ave neighs/atom = 3 Neighbor list builds = 1 Dangerous builds = 0 Total wall time: 0:00:00