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 (3.04664 3.08032 2.97501) with tilt (-0.174961 -0.123949 0.0153932) 1 by 1 by 1 MPI processor grid Scanning dump file ... Reading snapshot from dump file ... triclinic box = (0 0 0) to (3.04664 3.08032 2.97501) with tilt (-0.174961 -0.123949 0.0153932) 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 (3.04664 3.08032 2.97501) with tilt (-0.174961 -0.123949 0.0153932) triclinic box = (0 0 0) to (3.04664 3.08032 2.97501) with tilt (-0.174961 -0.123949 0.0153932) triclinic box = (0 0 0) to (3.04664 3.08032 2.97501) with tilt (-0.174961 -0.123949 0.0153932) triclinic box = (0 0 0) to (3.04664 3.08032 2.97501) with tilt (-0.174961 -0.123949 0.0153932) triclinic box = (0 0 0) to (3.04664 3.08032 2.97501) with tilt (-0.174961 -0.123949 0.0153932) triclinic box = (0 0 0) to (3.04664 3.08032 2.97501) with tilt (-0.174961 -0.123949 0.0153932) Reading potential file ./SM_720598599889_000-files/b'SiC.gw.zbl' with DATE: 2016-05-06 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 = 4.5 ghost atom cutoff = 4.5 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair gw/zbl, 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) = 4.95 | 4.95 | 4.95 Mbytes v_pe_metal -2.814407 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: 110 ave 110 max 110 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: 52 ave 52 max 52 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 52 Ave neighs/atom = 26 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00