LAMMPS (11 Aug 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: Using 'neigh_modify every 1 delay 0 check yes' setting 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 ghost atom cutoff = 5 binsize = 2.5, 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 Current step : 0 Per MPI rank memory allocation (min/avg/max) = 5.179 | 5.179 | 5.179 Mbytes PotEng 5.2810121 -13.969767 Loop time of 0.00144196 on 1 procs for 50 steps with 6 atoms 277.4% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = 5.28101212375 -13.9697582102 -13.9697671083 Force two-norm initial, final = 58.5141 0.0132095 Force max component initial, final = 31.083 0.00633697 Final line search alpha, max atom move = 1 0.00633697 Iterations, force evaluations = 50 83 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00069165 | 0.00069165 | 0.00069165 | 0.0 | 47.97 Neigh | 2.408e-05 | 2.408e-05 | 2.408e-05 | 0.0 | 1.67 Comm | 7.1526e-06 | 7.1526e-06 | 7.1526e-06 | 0.0 | 0.50 Output | 0.0006094 | 0.0006094 | 0.0006094 | 0.0 | 42.26 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0.0001097 | | | 7.61 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: 24 ave 24 max 24 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 24 Ave neighs/atom = 4 Neighbor list builds = 2 Dangerous builds = 0 Total wall time: 0:00:00