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 (3.14723 3.10046 3.00488) with tilt (-0.0492528 0.100347 -0.00961029) 1 by 1 by 1 MPI processor grid Scanning dump file ... Reading snapshot from dump file ... triclinic box = (0 0 0) to (3.14723 3.10046 3.00488) with tilt (-0.0492528 0.100347 -0.00961029) 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 (3.14723 3.10046 3.00488) with tilt (-0.0492528 0.100347 -0.00961029) triclinic box = (0 0 0) to (3.14723 3.10046 3.00488) with tilt (-0.0492528 0.100347 -0.00961029) triclinic box = (0 0 0) to (3.14723 3.10046 3.00488) with tilt (-0.0492528 0.100347 -0.00961029) triclinic box = (0 0 0) to (3.14723 3.10046 3.00488) with tilt (-0.0492528 0.100347 -0.00961029) triclinic box = (0 0 0) to (3.14723 3.10046 3.00488) with tilt (-0.0492528 0.100347 -0.00961029) triclinic box = (0 0 0) to (3.14723 3.10046 3.00488) with tilt (-0.0492528 0.100347 -0.00961029) 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) = 4.996 | 4.996 | 4.996 Mbytes v_pe_metal 226.89733 Loop time of 2.14577e-06 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 | | 2.146e-06 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1239 ave 1239 max 1239 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: 1028 ave 1028 max 1028 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1028 Ave neighs/atom = 514 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00