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 (10.5412 9.14864 10.8232) with tilt (-5.30912 0.0543286 0.019795) WARNING: Triclinic box skew is large (src/domain.cpp:195) 1 by 1 by 1 MPI processor grid Scanning dump file ... Reading snapshot from dump file ... triclinic box = (0 0 0) to (10.5412 9.14864 10.8232) with tilt (-5.30912 0.0543286 0.019795) 0 atoms before read 64 atoms in snapshot 0 atoms purged 0 atoms replaced 0 atoms trimmed 64 atoms added 64 atoms after read 64 atoms in group all Changing box ... WARNING: Triclinic box skew is large (src/domain.cpp:195) triclinic box = (0 0 0) to (10.5412 9.14864 10.8232) with tilt (-5.30912 0.0543286 0.019795) WARNING: Triclinic box skew is large (src/domain.cpp:195) triclinic box = (0 0 0) to (10.5412 9.14864 10.8232) with tilt (-5.30912 0.0543286 0.019795) WARNING: Triclinic box skew is large (src/domain.cpp:195) triclinic box = (0 0 0) to (10.5412 9.14864 10.8232) with tilt (-5.30912 0.0543286 0.019795) WARNING: Triclinic box skew is large (src/domain.cpp:195) triclinic box = (0 0 0) to (10.5412 9.14864 10.8232) with tilt (-5.30912 0.0543286 0.019795) WARNING: Triclinic box skew is large (src/domain.cpp:195) triclinic box = (0 0 0) to (10.5412 9.14864 10.8232) with tilt (-5.30912 0.0543286 0.019795) WARNING: Triclinic box skew is large (src/domain.cpp:195) triclinic box = (0 0 0) to (10.5412 9.14864 10.8232) with tilt (-5.30912 0.0543286 0.019795) Reading potential file ./SM_887826436433_000-files/b'SiO.1990.vashishta' with DATE: 2015-10-14 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 = 12 ghost atom cutoff = 12 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair vashishta, perpetual attributes: full, newton on pair build: full/nsq 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) = 5.067 | 5.067 | 5.067 Mbytes v_pe_metal 6515.3242 Loop time of 9.53674e-07 on 1 procs for 0 steps with 64 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: 64 ave 64 max 64 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 2861 ave 2861 max 2861 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: 28290 ave 28290 max 28290 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 28290 Ave neighs/atom = 442.031 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00