LAMMPS (8 Feb 2019) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87) using 1 OpenMP thread(s) per MPI task 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: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/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 off, ghost, cut 5 pair build: full/bin/ghost stencil: full/ghost/bin/3d bin: standard Setting up cg style minimization ... Unit style : metal Current step : 0 Per MPI rank memory allocation (min/avg/max) = 5.242 | 5.242 | 5.242 Mbytes PotEng 42.523369 -13.320601 Loop time of 0.00187016 on 1 procs for 50 steps with 6 atoms 534.7% CPU use with 1 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = 42.5233689556 -13.3205886823 -13.3206014225 Force two-norm initial, final = 149.587 0.0106148 Force max component initial, final = 76.8244 0.00637034 Final line search alpha, max atom move = 1 0.00637034 Iterations, force evaluations = 50 85 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00091243 | 0.00091243 | 0.00091243 | 0.0 | 48.79 Neigh | 1.5974e-05 | 1.5974e-05 | 1.5974e-05 | 0.0 | 0.85 Comm | 4.5776e-05 | 4.5776e-05 | 4.5776e-05 | 0.0 | 2.45 Output | 0.00077176 | 0.00077176 | 0.00077176 | 0.0 | 41.27 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0.0001242 | | | 6.64 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 = 2 Dangerous builds = 0 Total wall time: 0:00:00