LAMMPS (24 Oct 2018) 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: 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 = 5.77118 ghost atom cutoff = 5.77118 binsize = 2.88559, bins = 18 18 18 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 5.77118 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) = 5.205 | 5.205 | 5.205 Mbytes PotEng -3.5142962 -17.122704 Loop time of 0.00269794 on 1 procs for 59 steps with 7 atoms 25.0% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -3.51429616735 -17.1226899231 -17.1227036796 Force two-norm initial, final = 35.5542 0.0101624 Force max component initial, final = 14.8301 0.00421275 Final line search alpha, max atom move = 1 0.00421275 Iterations, force evaluations = 59 103 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0017266 | 0.0017266 | 0.0017266 | 0.0 | 64.00 Neigh | 7.1526e-06 | 7.1526e-06 | 7.1526e-06 | 0.0 | 0.27 Comm | 1.0729e-05 | 1.0729e-05 | 1.0729e-05 | 0.0 | 0.40 Output | 0.00088143 | 0.00088143 | 0.00088143 | 0.0 | 32.67 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 7.2e-05 | | | 2.67 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