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 37.767978 -13.83023 Loop time of 0.00121307 on 1 procs for 37 steps with 6 atoms 824.4% CPU use with 1 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = 37.7679782173 -13.8302229803 -13.8302300419 Force two-norm initial, final = 165.037 0.00938621 Force max component initial, final = 84.3661 0.00522161 Final line search alpha, max atom move = 1 0.00522161 Iterations, force evaluations = 37 61 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00053811 | 0.00053811 | 0.00053811 | 0.0 | 44.36 Neigh | 8.1062e-06 | 8.1062e-06 | 8.1062e-06 | 0.0 | 0.67 Comm | 2.7895e-05 | 2.7895e-05 | 2.7895e-05 | 0.0 | 2.30 Output | 0.00054359 | 0.00054359 | 0.00054359 | 0.0 | 44.81 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-05 | | | 7.86 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