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 ... 3 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 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) = 5.142 | 5.142 | 5.142 Mbytes PotEng 17.717474 -4.741968 Loop time of 0.000254869 on 1 procs for 14 steps with 3 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 = 17.7174742376 -4.74196750614 -4.74196795132 Force two-norm initial, final = 121.675 0.00204816 Force max component initial, final = 70.3091 0.00143991 Final line search alpha, max atom move = 1 0.00143991 Iterations, force evaluations = 14 23 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00012898 | 0.00012898 | 0.00012898 | 0.0 | 50.61 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 9.5367e-07 | 9.5367e-07 | 9.5367e-07 | 0.0 | 0.37 Output | 0.00010824 | 0.00010824 | 0.00010824 | 0.0 | 42.47 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 1.669e-05 | | | 6.55 Nlocal: 3 ave 3 max 3 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: 6 ave 6 max 6 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 6 Ave neighs/atom = 2 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00