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 = 4.96 ghost atom cutoff = 4.96 binsize = 2.48, bins = 21 21 21 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) = 5.163 | 5.163 | 5.163 Mbytes PotEng 7.5794496 -16.261074 Loop time of 0.00117588 on 1 procs for 40 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 = 7.57944964858 -16.2610622905 -16.2610736608 Force two-norm initial, final = 88.4085 0.0165255 Force max component initial, final = 53.0099 0.00689084 Final line search alpha, max atom move = 1 0.00689084 Iterations, force evaluations = 40 67 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00055242 | 0.00055242 | 0.00055242 | 0.0 | 46.98 Neigh | 9.0599e-06 | 9.0599e-06 | 9.0599e-06 | 0.0 | 0.77 Comm | 8.1062e-06 | 8.1062e-06 | 8.1062e-06 | 0.0 | 0.69 Output | 0.00053334 | 0.00053334 | 0.00053334 | 0.0 | 45.36 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 7.296e-05 | | | 6.20 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 = 1 Dangerous builds = 0 Total wall time: 0:00:00