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 ... 4 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 -11.530378 -11.950301 Loop time of 0.000235081 on 1 procs for 16 steps with 4 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 = -11.5303778631 -11.9502904138 -11.9503007031 Force two-norm initial, final = 4.03885 0.00732555 Force max component initial, final = 2.39922 0.0041638 Final line search alpha, max atom move = 1 0.0041638 Iterations, force evaluations = 16 28 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 2.7895e-05 | 2.7895e-05 | 2.7895e-05 | 0.0 | 11.87 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 2.0027e-05 | 2.0027e-05 | 2.0027e-05 | 0.0 | 8.52 Output | 0.00015187 | 0.00015187 | 0.00015187 | 0.0 | 64.60 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 3.529e-05 | | | 15.01 Nlocal: 4 ave 4 max 4 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: 6 ave 6 max 6 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 6 Ave neighs/atom = 1.5 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00