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 ... 4 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 ghost atom cutoff = 5 binsize = 2.5, 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) = 5.179 | 5.179 | 5.179 Mbytes PotEng 21.740485 -7.9978189 Loop time of 0.000672817 on 1 procs for 22 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 = 21.740485373 -7.99781207459 -7.99781887254 Force two-norm initial, final = 132.711 0.00970065 Force max component initial, final = 83.692 0.00434934 Final line search alpha, max atom move = 1 0.00434934 Iterations, force evaluations = 22 34 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00025415 | 0.00025415 | 0.00025415 | 0.0 | 37.77 Neigh | 1.0967e-05 | 1.0967e-05 | 1.0967e-05 | 0.0 | 1.63 Comm | 9.0599e-06 | 9.0599e-06 | 9.0599e-06 | 0.0 | 1.35 Output | 0.00034785 | 0.00034785 | 0.00034785 | 0.0 | 51.70 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 5.078e-05 | | | 7.55 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: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 12 ave 12 max 12 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 12 Ave neighs/atom = 3 Neighbor list builds = 1 Dangerous builds = 0 Total wall time: 0:00:00