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 ... 6 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 = 5.55547 ghost atom cutoff = 5.55547 binsize = 2.77773, bins = 19 19 19 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) = 5.148 | 5.148 | 5.148 Mbytes PotEng -10.334494 -11.567722 Loop time of 0.0024569 on 1 procs for 23 steps with 6 atoms 162.8% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -10.3344944716 -11.5677147107 -11.5677216437 Force two-norm initial, final = 4.36799 0.00861011 Force max component initial, final = 2.18598 0.00378491 Final line search alpha, max atom move = 1 0.00378491 Iterations, force evaluations = 23 41 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0018907 | 0.0018907 | 0.0018907 | 0.0 | 76.95 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 7.6294e-06 | 7.6294e-06 | 7.6294e-06 | 0.0 | 0.31 Output | 0.00048661 | 0.00048661 | 0.00048661 | 0.0 | 19.81 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 7.2e-05 | | | 2.93 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