LAMMPS (12 Dec 2018) 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 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 = 8.19615 ghost atom cutoff = 8.19615 binsize = 4.09807, bins = 13 13 13 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair adp, perpetual attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/3d/newton bin: standard Setting up cg style minimization ... Unit style : metal Current step : 0 Per MPI rank memory allocation (min/avg/max) = 7.68 | 7.68 | 7.68 Mbytes PotEng -15.129077 -16.286929 Loop time of 0.000208139 on 1 procs for 12 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 = -15.1290769879 -16.286922668 -16.2869286561 Force two-norm initial, final = 6.69638 0.0049727 Force max component initial, final = 3.81796 0.00265159 Final line search alpha, max atom move = 1 0.00265159 Iterations, force evaluations = 12 22 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 3.0994e-05 | 3.0994e-05 | 3.0994e-05 | 0.0 | 14.89 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 1.2398e-05 | 1.2398e-05 | 1.2398e-05 | 0.0 | 5.96 Output | 0.00012732 | 0.00012732 | 0.00012732 | 0.0 | 61.17 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 3.743e-05 | | | 17.98 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 Total # of neighbors = 10 Ave neighs/atom = 2 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00