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 = 5.78935 ghost atom cutoff = 5.78935 binsize = 2.89467, bins = 18 18 18 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 5.78935 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up cg style minimization ... Unit style : metal Current step : 0 Per MPI rank memory allocation (min/avg/max) = 5.205 | 5.205 | 5.205 Mbytes PotEng -0.44786385 -8.5158241 Loop time of 0.00134897 on 1 procs for 45 steps with 6 atoms 741.3% CPU use with 1 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -0.447863849218 -8.51582043547 -8.51582412592 Force two-norm initial, final = 24.1837 0.00668316 Force max component initial, final = 12.1012 0.00276964 Final line search alpha, max atom move = 1 0.00276964 Iterations, force evaluations = 45 77 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00055218 | 0.00055218 | 0.00055218 | 0.0 | 40.93 Neigh | 5.0068e-06 | 5.0068e-06 | 5.0068e-06 | 0.0 | 0.37 Comm | 5.2452e-05 | 5.2452e-05 | 5.2452e-05 | 0.0 | 3.89 Output | 0.00064611 | 0.00064611 | 0.00064611 | 0.0 | 47.90 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.322e-05 | | | 6.91 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 = 1 Dangerous builds = 0 Total wall time: 0:00:00