LAMMPS (11 Aug 2017) 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 (../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 = 9.91118 ghost atom cutoff = 9.91118 binsize = 4.95559, bins = 11 11 11 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up cg style minimization ... Unit style : metal Current step : 0 Per MPI rank memory allocation (min/avg/max) = 5.111 | 5.111 | 5.111 Mbytes PotEng 5.4632436 -19.027168 Loop time of 0.000452995 on 1 procs for 32 steps with 4 atoms 883.0% CPU use with 1 MPI tasks x no OpenMP threads Minimization stats: Stopping criterion = energy tolerance Energy initial, next-to-last, final = 5.46324356664 -19.0271527852 -19.027167841 Force two-norm initial, final = 249.83 0.134176 Force max component initial, final = 131.861 0.0669235 Final line search alpha, max atom move = 1 0.0669235 Iterations, force evaluations = 32 60 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 8.2016e-05 | 8.2016e-05 | 8.2016e-05 | 0.0 | 18.11 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 1.5259e-05 | 1.5259e-05 | 1.5259e-05 | 0.0 | 3.37 Output | 0.00032973 | 0.00032973 | 0.00032973 | 0.0 | 72.79 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 2.599e-05 | | | 5.74 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