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 ... 4 atoms WARNING: KIM Model does not provide `partialParticleEnergy'; energy per atom will be zero (../pair_kim.cpp:1046) WARNING: KIM Model does not provide `partialParticleVirial'; virial per atom will be zero (../pair_kim.cpp:1051) 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 = 5.12138 ghost atom cutoff = 5.12138 binsize = 2.56069, bins = 20 20 20 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 5.12138 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) = 5.217 | 5.217 | 5.217 Mbytes PotEng -6.8772189 -10.803692 Loop time of 0.000453949 on 1 procs for 21 steps with 4 atoms 100.0% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -6.87721886857 -10.8036913039 -10.803692082 Force two-norm initial, final = 21.9698 0.00138063 Force max component initial, final = 11.4042 0.000759222 Final line search alpha, max atom move = 1 0.000759222 Iterations, force evaluations = 21 41 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00014281 | 0.00014281 | 0.00014281 | 0.0 | 31.46 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 8.3447e-06 | 8.3447e-06 | 8.3447e-06 | 0.0 | 1.84 Output | 0.00027752 | 0.00027752 | 0.00027752 | 0.0 | 61.13 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 2.527e-05 | | | 5.57 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 = 0 Dangerous builds = 0 Total wall time: 0:00:00