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 ... 7 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) = 7.681 | 7.681 | 7.681 Mbytes PotEng -21.361274 -24.660545 Loop time of 0.00048089 on 1 procs for 23 steps with 7 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 = -21.3612744252 -24.6605201408 -24.6605445241 Force two-norm initial, final = 13.5208 0.011545 Force max component initial, final = 9.26525 0.00584195 Final line search alpha, max atom move = 1 0.00584195 Iterations, force evaluations = 23 40 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 9.3699e-05 | 9.3699e-05 | 9.3699e-05 | 0.0 | 19.48 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 2.4319e-05 | 2.4319e-05 | 2.4319e-05 | 0.0 | 5.06 Output | 0.00030661 | 0.00030661 | 0.00030661 | 0.0 | 63.76 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 5.627e-05 | | | 11.70 Nlocal: 7 ave 7 max 7 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: 21 ave 21 max 21 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 21 Ave neighs/atom = 3 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00