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 19.897837 -8.9625916 Loop time of 0.00103283 on 1 procs for 28 steps with 6 atoms 0.0% CPU use with 1 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = 19.8978368062 -8.96258871298 -8.96259157797 Force two-norm initial, final = 58.7234 0.00547016 Force max component initial, final = 25.5678 0.00229326 Final line search alpha, max atom move = 1 0.00229326 Iterations, force evaluations = 28 38 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00056601 | 0.00056601 | 0.00056601 | 0.0 | 54.80 Neigh | 5.0068e-06 | 5.0068e-06 | 5.0068e-06 | 0.0 | 0.48 Comm | 1.9312e-05 | 1.9312e-05 | 1.9312e-05 | 0.0 | 1.87 Output | 0.00038052 | 0.00038052 | 0.00038052 | 0.0 | 36.84 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 6.199e-05 | | | 6.00 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