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 ... 6 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 = 5.05 ghost atom cutoff = 5.05 binsize = 2.525, 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) = 5.155 | 5.155 | 5.155 Mbytes PotEng -15.262888 -17.737107 Loop time of 0.00112391 on 1 procs for 23 steps with 6 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 = -15.2628883037 -17.7371049354 -17.7371070864 Force two-norm initial, final = 18.4213 0.297628 Force max component initial, final = 9.62737 0.144824 Final line search alpha, max atom move = 0.511599 0.0740919 Iterations, force evaluations = 23 63 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00080419 | 0.00080419 | 0.00080419 | 0.0 | 71.55 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 6.4373e-06 | 6.4373e-06 | 6.4373e-06 | 0.0 | 0.57 Output | 0.00027037 | 0.00027037 | 0.00027037 | 0.0 | 24.06 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 4.292e-05 | | | 3.82 Nlocal: 6 ave 6 max 6 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: 30 ave 30 max 30 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 30 Ave neighs/atom = 5 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00