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 ... 5 atoms Reading potential file ./SM_264944083668_000-files/library.meam with DATE: 2012-06-29 Reading potential file ./SM_264944083668_000-files/SiC.meam with DATE: 2007-06-11 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 = 6 ghost atom cutoff = 6 binsize = 3, bins = 17 17 17 2 neighbor lists, perpetual/occasional/extra = 2 0 0 (1) pair meam/c, perpetual attributes: full, newton on pair build: full/bin/atomonly stencil: full/bin/3d bin: standard (2) pair meam/c, perpetual, half/full from (1) attributes: half, newton on pair build: halffull/newton stencil: none bin: none Setting up cg style minimization ... Unit style : metal Current step : 0 Per MPI rank memory allocation (min/avg/max) = 10.33 | 10.33 | 10.33 Mbytes PotEng 18.698392 -12.133445 Loop time of 0.00046587 on 1 procs for 22 steps with 5 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 = 18.6983921602 -12.1334340909 -12.1334451424 Force two-norm initial, final = 127.101 0.0113684 Force max component initial, final = 84.887 0.00535229 Final line search alpha, max atom move = 1 0.00535229 Iterations, force evaluations = 22 42 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00013566 | 0.00013566 | 0.00013566 | 0.0 | 29.12 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 1.5974e-05 | 1.5974e-05 | 1.5974e-05 | 0.0 | 3.43 Output | 0.00025129 | 0.00025129 | 0.00025129 | 0.0 | 53.94 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 6.294e-05 | | | 13.51 Nlocal: 5 ave 5 max 5 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: 10 ave 10 max 10 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 = 4 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00