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 ... 4 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 = 5.55547 ghost atom cutoff = 5.55547 binsize = 2.77773, bins = 19 19 19 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) = 5.148 | 5.148 | 5.148 Mbytes PotEng -4.3885456 -6.4872764 Loop time of 0.000736952 on 1 procs for 27 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 = -4.38854562289 -6.48727452605 -6.48727636678 Force two-norm initial, final = 10.0938 0.00750636 Force max component initial, final = 5.24261 0.00453516 Final line search alpha, max atom move = 1 0.00453516 Iterations, force evaluations = 27 47 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00041914 | 0.00041914 | 0.00041914 | 0.0 | 56.87 Neigh | 7.1526e-06 | 7.1526e-06 | 7.1526e-06 | 0.0 | 0.97 Comm | 9.0599e-06 | 9.0599e-06 | 9.0599e-06 | 0.0 | 1.23 Output | 0.00027132 | 0.00027132 | 0.00027132 | 0.0 | 36.82 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 3.028e-05 | | | 4.11 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