LAMMPS (18 Jun 2019) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88) using 1 OpenMP thread(s) per MPI task Created orthogonal box = (-25 -25 -25) to (25 25 25) 1 by 1 by 1 MPI processor grid Scanning dump file ... Reading snapshot from dump file ... orthogonal box = (-25 -25 -25) to (25 25 25) 0 atoms before read 3 atoms in snapshot 0 atoms purged 0 atoms replaced 0 atoms trimmed 3 atoms added 3 atoms after read 3 atoms in group all Changing box ... orthogonal box = (-25 -25 -25) to (25 25 25) orthogonal box = (-25 -25 -25) to (25 25 25) orthogonal box = (-25 -25 -25) to (25 25 25) 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 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair adp, perpetual attributes: half, newton on pair build: half/nsq/newton stencil: none bin: none Setting up cg style minimization ... Unit style : metal Current step : 0 Per MPI rank memory allocation (min/avg/max) = 8.655 | 8.655 | 8.655 Mbytes v_pe_metal 4.4218126 -8.3376147 Loop time of 0.000197887 on 1 procs for 12 steps with 3 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 = 4.42181259874 -8.33761465126 -8.33761465151 Force two-norm initial, final = 56.5514 1.33326e-05 Force max component initial, final = 37.1474 7.61698e-06 Final line search alpha, max atom move = 1 7.61698e-06 Iterations, force evaluations = 12 19 MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 1.4305e-05 | 1.4305e-05 | 1.4305e-05 | 0.0 | 7.23 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 1.3113e-05 | 1.3113e-05 | 1.3113e-05 | 0.0 | 6.63 Output | 0.00013161 | 0.00013161 | 0.00013161 | 0.0 | 66.51 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 3.886e-05 | | | 19.64 Nlocal: 3 ave 3 max 3 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: 3 ave 3 max 3 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 3 Ave neighs/atom = 1 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00