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 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 6.3750383 -17.214705 Loop time of 0.00170398 on 1 procs for 38 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 = 6.375038305 -17.2146905461 -17.2147046348 Force two-norm initial, final = 93.9665 0.355285 Force max component initial, final = 53.3482 0.143279 Final line search alpha, max atom move = 0.335212 0.0480289 Iterations, force evaluations = 38 112 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00096917 | 0.00096917 | 0.00096917 | 0.0 | 56.88 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 8.0347e-05 | 8.0347e-05 | 8.0347e-05 | 0.0 | 4.72 Output | 0.00054169 | 0.00054169 | 0.00054169 | 0.0 | 31.79 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0.0001128 | | | 6.62 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 = 0 Dangerous builds = 0 Please see the log.cite file for references relevant to this simulation Total wall time: 0:00:00