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 = 5.2 ghost atom cutoff = 5.2 binsize = 2.6, bins = 20 20 20 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, ghost, cut 5.2 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) = 5.218 | 5.218 | 5.218 Mbytes PotEng -23.114936 -26.519947 Loop time of 0.0016458 on 1 procs for 32 steps with 6 atoms 607.6% CPU use with 1 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -23.1149363854 -26.5199251772 -26.5199465739 Force two-norm initial, final = 6.59863 0.0139707 Force max component initial, final = 3.29021 0.00589929 Final line search alpha, max atom move = 1 0.00589929 Iterations, force evaluations = 32 59 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0010304 | 0.0010304 | 0.0010304 | 0.0 | 62.61 Neigh | 5.9605e-06 | 5.9605e-06 | 5.9605e-06 | 0.0 | 0.36 Comm | 3.0279e-05 | 3.0279e-05 | 3.0279e-05 | 0.0 | 1.84 Output | 0.00048137 | 0.00048137 | 0.00048137 | 0.0 | 29.25 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.775e-05 | | | 5.94 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: 30 ave 30 max 30 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 30 Ave neighs/atom = 5 Neighbor list builds = 1 Dangerous builds = 0 Total wall time: 0:00:00