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 ... 7 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 = 5.2 ghost atom cutoff = 5.2 binsize = 2.6, 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) = 5.155 | 5.155 | 5.155 Mbytes PotEng -26.536691 -30.281535 Loop time of 0.00661302 on 1 procs for 43 steps with 7 atoms 60.5% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -26.5366908878 -30.2815336728 -30.2815351756 Force two-norm initial, final = 7.93317 0.467927 Force max component initial, final = 4.51768 0.299152 Final line search alpha, max atom move = 0.216623 0.0648034 Iterations, force evaluations = 43 88 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0054073 | 0.0054073 | 0.0054073 | 0.0 | 81.77 Neigh | 9.0599e-06 | 9.0599e-06 | 9.0599e-06 | 0.0 | 0.14 Comm | 2.3842e-05 | 2.3842e-05 | 2.3842e-05 | 0.0 | 0.36 Output | 0.0010657 | 0.0010657 | 0.0010657 | 0.0 | 16.12 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0.000107 | | | 1.62 Nlocal: 7 ave 7 max 7 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: 42 ave 42 max 42 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 42 Ave neighs/atom = 6 Neighbor list builds = 1 Dangerous builds = 0 Total wall time: 0:00:00