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 = 5.2 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 Current step : 0 Per MPI rank memory allocation (min/avg/max) = 5.155 | 5.155 | 5.155 Mbytes PotEng -26.59932 -30.335864 Loop time of 0.001616 on 1 procs for 22 steps with 7 atoms 247.5% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -26.5993197454 -30.3358422188 -30.3358640588 Force two-norm initial, final = 14.6381 0.217697 Force max component initial, final = 6.29283 0.124801 Final line search alpha, max atom move = 0.713564 0.0890535 Iterations, force evaluations = 22 48 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0012805 | 0.0012805 | 0.0012805 | 0.0 | 79.24 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 4.7684e-06 | 4.7684e-06 | 4.7684e-06 | 0.0 | 0.30 Output | 0.00029063 | 0.00029063 | 0.00029063 | 0.0 | 17.98 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 4.005e-05 | | | 2.48 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 = 0 Dangerous builds = 0 Total wall time: 0:00:00