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_435704953434_000-files/SiC.edip with DATE: 2017-05-16 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 = 4.94159 ghost atom cutoff = 4.94159 binsize = 2.47079, bins = 21 21 21 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair edip/multi, 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) = 5.1 | 5.1 | 5.1 Mbytes PotEng -20.778107 -24.6024 Loop time of 0.00146699 on 1 procs for 49 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 = -20.7781071615 -24.6023793529 -24.6024001196 Force two-norm initial, final = 16.015 0.0328144 Force max component initial, final = 7.70866 0.0153128 Final line search alpha, max atom move = 1 0.0153128 Iterations, force evaluations = 49 95 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00059009 | 0.00059009 | 0.00059009 | 0.0 | 40.22 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 4.6253e-05 | 4.6253e-05 | 4.6253e-05 | 0.0 | 3.15 Output | 0.00072002 | 0.00072002 | 0.00072002 | 0.0 | 49.08 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0.0001106 | | | 7.54 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: 40 ave 40 max 40 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 40 Ave neighs/atom = 5.71429 Neighbor list builds = 0 Dangerous builds = 0 Please see the log.cite file for references relevant to this simulation Total wall time: 0:00:00