LAMMPS (12 Dec 2018) 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 Reading potential file ./SM_196548226654_000-files/SiC.vashishta with DATE: 2015-10-14 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 = 9.35 ghost atom cutoff = 9.35 binsize = 4.675, bins = 11 11 11 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair vashishta, perpetual attributes: full, newton on 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) = 5.049 | 5.049 | 5.049 Mbytes PotEng 61.312642 5.1305626e-12 Loop time of 0.00270081 on 1 procs for 171 steps with 6 atoms 0.0% CPU use with 1 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = force tolerance Energy initial, next-to-last, final = 61.3126418962 6.13464834487e-12 5.1305626414e-12 Force two-norm initial, final = 46.067 9.36448e-07 Force max component initial, final = 22.9724 4.87019e-07 Final line search alpha, max atom move = 1 4.87019e-07 Iterations, force evaluations = 171 171 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00019073 | 0.00019073 | 0.00019073 | 0.0 | 7.06 Neigh | 1.3828e-05 | 1.3828e-05 | 1.3828e-05 | 0.0 | 0.51 Comm | 8.3923e-05 | 8.3923e-05 | 8.3923e-05 | 0.0 | 3.11 Output | 0.0021729 | 0.0021729 | 0.0021729 | 0.0 | 80.46 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0.0002394 | | | 8.86 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: 20 ave 20 max 20 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 20 Ave neighs/atom = 3.33333 Neighbor list builds = 5 Dangerous builds = 0 Total wall time: 0:00:00