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 ... 5 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 11.405599 -11.302624 Loop time of 0.000598192 on 1 procs for 24 steps with 5 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 = 11.4055989747 -11.3026198214 -11.3026238396 Force two-norm initial, final = 67.9373 0.158872 Force max component initial, final = 28.5095 0.123491 Final line search alpha, max atom move = 0.34236 0.0422782 Iterations, force evaluations = 24 38 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00029778 | 0.00029778 | 0.00029778 | 0.0 | 49.78 Neigh | 1.0967e-05 | 1.0967e-05 | 1.0967e-05 | 0.0 | 1.83 Comm | 4.7684e-06 | 4.7684e-06 | 4.7684e-06 | 0.0 | 0.80 Output | 0.00025558 | 0.00025558 | 0.00025558 | 0.0 | 42.73 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 2.909e-05 | | | 4.86 Nlocal: 5 ave 5 max 5 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: 18 ave 18 max 18 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 18 Ave neighs/atom = 3.6 Neighbor list builds = 1 Dangerous builds = 0 Total wall time: 0:00:00