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 = 5.1 ghost atom cutoff = 5.1 binsize = 2.55, 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 Per MPI rank memory allocation (min/avg/max) = 5.155 | 5.155 | 5.155 Mbytes PotEng -9.7202019 -12.972904 Loop time of 0.00281906 on 1 procs for 40 steps with 6 atoms 141.9% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -9.72020192253 -12.9729021238 -12.9729035306 Force two-norm initial, final = 10.2869 0.00574268 Force max component initial, final = 6.06187 0.00388606 Final line search alpha, max atom move = 1 0.00388606 Iterations, force evaluations = 40 70 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0018809 | 0.0018809 | 0.0018809 | 0.0 | 66.72 Neigh | 9.0599e-06 | 9.0599e-06 | 9.0599e-06 | 0.0 | 0.32 Comm | 1.5497e-05 | 1.5497e-05 | 1.5497e-05 | 0.0 | 0.55 Output | 0.00081468 | 0.00081468 | 0.00081468 | 0.0 | 28.90 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.894e-05 | | | 3.51 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: 28 ave 28 max 28 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 28 Ave neighs/atom = 4.66667 Neighbor list builds = 1 Dangerous builds = 0 Total wall time: 0:00:00