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 -6.6486446 -13.897323 Loop time of 0.00567698 on 1 procs for 62 steps with 5 atoms 70.5% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -6.64864456202 -13.8973151029 -13.8973231933 Force two-norm initial, final = 25.0697 0.0756903 Force max component initial, final = 10.2974 0.0450099 Final line search alpha, max atom move = 0.03125 0.00140656 Iterations, force evaluations = 62 274 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0043468 | 0.0043468 | 0.0043468 | 0.0 | 76.57 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 7.8678e-05 | 7.8678e-05 | 7.8678e-05 | 0.0 | 1.39 Output | 0.0010746 | 0.0010746 | 0.0010746 | 0.0 | 18.93 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0.0001769 | | | 3.12 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: 18 ave 18 max 18 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 18 Ave neighs/atom = 3.6 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00