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 triclinic box = (0 0 0) to (3.09899 3.14279 3.20161) with tilt (-0.0309424 -0.165541 -0.149715) 1 by 1 by 1 MPI processor grid Scanning dump file ... Reading snapshot from dump file ... triclinic box = (0 0 0) to (3.09899 3.14279 3.20161) with tilt (-0.0309424 -0.165541 -0.149715) 0 atoms before read 2 atoms in snapshot 0 atoms purged 0 atoms replaced 0 atoms trimmed 2 atoms added 2 atoms after read 2 atoms in group all Changing box ... triclinic box = (0 0 0) to (3.09899 3.14279 3.20161) with tilt (-0.0309424 -0.165541 -0.149715) triclinic box = (0 0 0) to (3.09899 3.14279 3.20161) with tilt (-0.0309424 -0.165541 -0.149715) triclinic box = (0 0 0) to (3.09899 3.14279 3.20161) with tilt (-0.0309424 -0.165541 -0.149715) triclinic box = (0 0 0) to (3.09899 3.14279 3.20161) with tilt (-0.0309424 -0.165541 -0.149715) triclinic box = (0 0 0) to (3.09899 3.14279 3.20161) with tilt (-0.0309424 -0.165541 -0.149715) triclinic box = (0 0 0) to (3.09899 3.14279 3.20161) with tilt (-0.0309424 -0.165541 -0.149715) Reading potential file ./SM_622320990752_000-files/b'Si_1.meam.spline' with DATE: 2012-02-01 WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 4000, page size: 100000 master list distance cutoff = 6.5 ghost atom cutoff = 6.5 2 neighbor lists, perpetual/occasional/extra = 2 0 0 (1) pair meam/spline, perpetual attributes: full, newton on pair build: full/nsq stencil: none bin: none (2) pair meam/spline, perpetual, half/full from (1) attributes: half, newton on pair build: halffull/newton stencil: none bin: none Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 5.73 | 5.73 | 5.73 Mbytes v_pe_metal -7.7060246 Loop time of 9.53674e-07 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-07 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 339 ave 339 max 339 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 64 ave 64 max 64 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 128 ave 128 max 128 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 128 Ave neighs/atom = 64 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00