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 = 9.91118 ghost atom cutoff = 9.91118 binsize = 4.95559, bins = 11 11 11 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up cg style minimization ... Unit style : metal Current step : 0 Per MPI rank memory allocation (min/avg/max) = 5.111 | 5.111 | 5.111 Mbytes PotEng -13.215483 -16.559275 Loop time of 0.000665188 on 1 procs for 49 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 = -13.2154826646 -16.5592746256 -16.5592747333 Force two-norm initial, final = 31.0118 2.90594 Force max component initial, final = 15.1457 1.37387 Final line search alpha, max atom move = 0.0577498 0.0793407 Iterations, force evaluations = 49 136 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00015569 | 0.00015569 | 0.00015569 | 0.0 | 23.41 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 1.502e-05 | 1.502e-05 | 1.502e-05 | 0.0 | 2.26 Output | 0.00044703 | 0.00044703 | 0.00044703 | 0.0 | 67.20 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 4.745e-05 | | | 7.13 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: 6 ave 6 max 6 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 6 Ave neighs/atom = 1.5 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00