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_656517352485_000-files/library.meam with DATE: 2012-06-29 Reading potential file ./SM_656517352485_000-files/AlSiMgCuFe.meam with DATE: 2012-06-29 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 = 7 ghost atom cutoff = 7 binsize = 3.5, bins = 15 15 15 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) = 10.32 | 10.32 | 10.32 Mbytes PotEng 107.56045 -19.501008 Loop time of 0.000757933 on 1 procs for 31 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 = 107.560451136 -19.5009965178 -19.5010076609 Force two-norm initial, final = 387.636 0.0101115 Force max component initial, final = 216.894 0.00432005 Final line search alpha, max atom move = 1 0.00432005 Iterations, force evaluations = 31 53 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00021911 | 0.00021911 | 0.00021911 | 0.0 | 28.91 Neigh | 4.0531e-06 | 4.0531e-06 | 4.0531e-06 | 0.0 | 0.53 Comm | 3.0279e-05 | 3.0279e-05 | 3.0279e-05 | 0.0 | 3.99 Output | 0.00042868 | 0.00042868 | 0.00042868 | 0.0 | 56.56 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 7.582e-05 | | | 10.00 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: 15 ave 15 max 15 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 = 1 Dangerous builds = 0 Total wall time: 0:00:00