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 ... 7 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 -10.455605 -16.993825 Loop time of 0.000864029 on 1 procs for 19 steps with 7 atoms 1157.4% CPU use with 1 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -10.4556050658 -16.9938167406 -16.9938248663 Force two-norm initial, final = 28.9941 0.00488775 Force max component initial, final = 15.9274 0.00219907 Final line search alpha, max atom move = 1 0.00219907 Iterations, force evaluations = 19 32 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00046182 | 0.00046182 | 0.00046182 | 0.0 | 53.45 Neigh | 9.0599e-06 | 9.0599e-06 | 9.0599e-06 | 0.0 | 1.05 Comm | 2.265e-05 | 2.265e-05 | 2.265e-05 | 0.0 | 2.62 Output | 0.00029659 | 0.00029659 | 0.00029659 | 0.0 | 34.33 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 7.391e-05 | | | 8.55 Nlocal: 7 ave 7 max 7 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: 42 ave 42 max 42 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 42 Ave neighs/atom = 6 Neighbor list builds = 1 Dangerous builds = 0 Total wall time: 0:00:00