LAMMPS (24 Oct 2018) 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 = 5.77118 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 off, cut 5.77118 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) = 5.205 | 5.205 | 5.205 Mbytes PotEng 56.280951 -13.321596 Loop time of 0.00197721 on 1 procs for 69 steps with 6 atoms 50.0% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = 56.2809507699 -13.3215877724 -13.3215964245 Force two-norm initial, final = 199.714 0.00789934 Force max component initial, final = 100.349 0.00319053 Final line search alpha, max atom move = 1 0.00319053 Iterations, force evaluations = 69 117 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00096536 | 0.00096536 | 0.00096536 | 0.0 | 48.82 Neigh | 1.3828e-05 | 1.3828e-05 | 1.3828e-05 | 0.0 | 0.70 Comm | 1.2398e-05 | 1.2398e-05 | 1.2398e-05 | 0.0 | 0.63 Output | 0.00092506 | 0.00092506 | 0.00092506 | 0.0 | 46.79 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 6.056e-05 | | | 3.06 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