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 ... 4 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 -13.314233 -19.027259 Loop time of 0.000194073 on 1 procs for 16 steps with 4 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 = -13.3142327544 -19.0272438312 -19.0272592416 Force two-norm initial, final = 17.0563 0.0394784 Force max component initial, final = 8.12059 0.0174644 Final line search alpha, max atom move = 1 0.0174644 Iterations, force evaluations = 16 28 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 3.3617e-05 | 3.3617e-05 | 3.3617e-05 | 0.0 | 17.32 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 1.9073e-06 | 1.9073e-06 | 1.9073e-06 | 0.0 | 0.98 Output | 0.00013351 | 0.00013351 | 0.00013351 | 0.0 | 68.80 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 2.503e-05 | | | 12.90 Nlocal: 4 ave 4 max 4 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: 6 ave 6 max 6 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 6 Ave neighs/atom = 1.5 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00