LAMMPS (31 Mar 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: Resetting reneighboring criteria 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 Per MPI rank memory allocation (min/avg/max) = 5.179 | 5.179 | 5.179 Mbytes PotEng 12.24991 -12.435506 Loop time of 0.00138688 on 1 procs for 31 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 = 12.2499102275 -12.4355002562 -12.4355058193 Force two-norm initial, final = 85.6619 0.0115101 Force max component initial, final = 49.4898 0.00681772 Final line search alpha, max atom move = 1 0.00681772 Iterations, force evaluations = 31 46 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00074315 | 0.00074315 | 0.00074315 | 0.0 | 53.58 Neigh | 1.1921e-05 | 1.1921e-05 | 1.1921e-05 | 0.0 | 0.86 Comm | 9.5367e-06 | 9.5367e-06 | 9.5367e-06 | 0.0 | 0.69 Output | 0.00055456 | 0.00055456 | 0.00055456 | 0.0 | 39.99 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 6.771e-05 | | | 4.88 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: 20 ave 20 max 20 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 20 Ave neighs/atom = 4 Neighbor list builds = 1 Dangerous builds = 0 Total wall time: 0:00:00