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 Reading potential file ./SM_578912636995_000-files/SiC.tersoff.zbl with DATE: 2009-04-15 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 tersoff/zbl, 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) = 5.117 | 5.117 | 5.117 Mbytes PotEng -11.611399 -16.713301 Loop time of 0.00177312 on 1 procs for 45 steps with 7 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 = -11.6113985254 -16.7132847259 -16.7133011794 Force two-norm initial, final = 17.1873 0.0156892 Force max component initial, final = 6.76135 0.00777393 Final line search alpha, max atom move = 1 0.00777393 Iterations, force evaluations = 45 79 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0009675 | 0.0009675 | 0.0009675 | 0.0 | 54.57 Neigh | 1.0014e-05 | 1.0014e-05 | 1.0014e-05 | 0.0 | 0.56 Comm | 4.673e-05 | 4.673e-05 | 4.673e-05 | 0.0 | 2.64 Output | 0.00063276 | 0.00063276 | 0.00063276 | 0.0 | 35.69 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0.0001161 | | | 6.55 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: 36 ave 36 max 36 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 36 Ave neighs/atom = 5.14286 Neighbor list builds = 1 Dangerous builds = 0 Total wall time: 0:00:00