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 ... 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 on 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) = 5.142 | 5.142 | 5.142 Mbytes PotEng 8.7935041 -16.893543 Loop time of 0.00218296 on 1 procs for 36 steps with 7 atoms 183.2% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = 8.79350405666 -16.8935372914 -16.8935431935 Force two-norm initial, final = 58.1675 0.00781469 Force max component initial, final = 20.8984 0.0036722 Final line search alpha, max atom move = 1 0.0036722 Iterations, force evaluations = 36 49 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0016532 | 0.0016532 | 0.0016532 | 0.0 | 75.73 Neigh | 8.1062e-06 | 8.1062e-06 | 8.1062e-06 | 0.0 | 0.37 Comm | 9.0599e-06 | 9.0599e-06 | 9.0599e-06 | 0.0 | 0.42 Output | 0.00047421 | 0.00047421 | 0.00047421 | 0.0 | 21.72 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 3.839e-05 | | | 1.76 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