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 = 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 -18.842714 -28.8674 Loop time of 0.000452995 on 1 procs for 33 steps with 5 atoms 883.0% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -18.8427139781 -28.8673945461 -28.8673995145 Force two-norm initial, final = 14.8222 0.147708 Force max component initial, final = 7.68097 0.0704705 Final line search alpha, max atom move = 0.897527 0.0632492 Iterations, force evaluations = 33 59 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 8.0109e-05 | 8.0109e-05 | 8.0109e-05 | 0.0 | 17.68 Neigh | 2.861e-06 | 2.861e-06 | 2.861e-06 | 0.0 | 0.63 Comm | 7.8678e-06 | 7.8678e-06 | 7.8678e-06 | 0.0 | 1.74 Output | 0.00032926 | 0.00032926 | 0.00032926 | 0.0 | 72.68 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 3.29e-05 | | | 7.26 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: 10 ave 10 max 10 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 10 Ave neighs/atom = 2 Neighbor list builds = 1 Dangerous builds = 0 Total wall time: 0:00:00