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_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 -7.858547 -15.637923 Loop time of 0.000594139 on 1 procs for 28 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 = -7.85854695031 -15.6379070733 -15.6379226134 Force two-norm initial, final = 33.6462 0.0202408 Force max component initial, final = 18.9063 0.0107048 Final line search alpha, max atom move = 1 0.0107048 Iterations, force evaluations = 28 51 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00017262 | 0.00017262 | 0.00017262 | 0.0 | 29.05 Neigh | 4.0531e-06 | 4.0531e-06 | 4.0531e-06 | 0.0 | 0.68 Comm | 3.171e-05 | 3.171e-05 | 3.171e-05 | 0.0 | 5.34 Output | 0.00031567 | 0.00031567 | 0.00031567 | 0.0 | 53.13 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 7.01e-05 | | | 11.80 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 = 1 Dangerous builds = 0 Total wall time: 0:00:00