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 ... 5 atoms WARNING: Resetting reneighboring criteria during minimization (../min.cpp:168) WARNING: KIM Model does not provide `particleEnergy'; energy per atom will be zero (../pair_kim.cpp:1058) WARNING: KIM Model does not provide `particleVirial'; virial per atom will be zero (../pair_kim.cpp:1068) 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 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 -12.381935 -15.036011 Loop time of 0.00193715 on 1 procs for 37 steps with 5 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 = -12.3819346014 -15.0360065144 -15.0360113311 Force two-norm initial, final = 8.91337 0.0911649 Force max component initial, final = 4.8784 0.0375478 Final line search alpha, max atom move = 0.1702 0.00639064 Iterations, force evaluations = 37 70 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.001204 | 0.001204 | 0.001204 | 0.0 | 62.15 Neigh | 7.8678e-06 | 7.8678e-06 | 7.8678e-06 | 0.0 | 0.41 Comm | 1.2875e-05 | 1.2875e-05 | 1.2875e-05 | 0.0 | 0.66 Output | 0.00063682 | 0.00063682 | 0.00063682 | 0.0 | 32.87 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 7.558e-05 | | | 3.90 Nlocal: 5 ave 5 max 5 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: 20 ave 20 max 20 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 20 Ave neighs/atom = 4 Neighbor list builds = 1 Dangerous builds = 0 Total wall time: 0:00:00