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 ... 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 = 5.74044 ghost atom cutoff = 5.74044 binsize = 2.87022, bins = 18 18 18 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, cut 5.74044 pair build: full/bin/atomonly stencil: full/bin/3d bin: standard Setting up cg style minimization ... Unit style : metal Current step : 0 Per MPI rank memory allocation (min/avg/max) = 5.205 | 5.205 | 5.205 Mbytes PotEng -3.2394702 -11.905975 Loop time of 0.00193501 on 1 procs for 39 steps with 7 atoms 516.8% CPU use with 1 MPI tasks x 1 OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = -3.23947017373 -11.9059643553 -11.9059751803 Force two-norm initial, final = 22.2755 0.0129252 Force max component initial, final = 8.66775 0.00494416 Final line search alpha, max atom move = 1 0.00494416 Iterations, force evaluations = 39 66 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.0012157 | 0.0012157 | 0.0012157 | 0.0 | 62.83 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 3.3855e-05 | 3.3855e-05 | 3.3855e-05 | 0.0 | 1.75 Output | 0.00059009 | 0.00059009 | 0.00059009 | 0.0 | 30.50 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-05 | | | 4.93 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: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 42 ave 42 max 42 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 42 Ave neighs/atom = 6 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00