LAMMPS (30 Jul 2021) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task Created triclinic box = (0.0000000 0.0000000 0.0000000) to (5.4507800 5.5671800 5.4261300) with tilt (0.12417200 -0.077004400 0.038855100) 1 by 1 by 1 MPI processor grid Scanning dump file ... Reading snapshot from dump file ... triclinic box = (0.0000000 0.0000000 0.0000000) to (5.4507800 5.5671800 5.4261300) with tilt (0.12417200 -0.077004400 0.038855100) 0 atoms before read 8 atoms in snapshot 0 atoms purged 0 atoms replaced 0 atoms trimmed 8 atoms added 8 atoms after read 8 atoms in group all Changing box ... triclinic box = (0.0000000 0.0000000 0.0000000) to (5.4507800 5.5671800 5.4261300) with tilt (0.12417200 -0.077004400 0.038855100) triclinic box = (0.0000000 0.0000000 0.0000000) to (5.4507800 5.5671800 5.4261300) with tilt (0.12417200 -0.077004400 0.038855100) triclinic box = (0.0000000 0.0000000 0.0000000) to (5.4507800 5.5671800 5.4261300) with tilt (0.12417200 -0.077004400 0.038855100) triclinic box = (0.0000000 0.0000000 0.0000000) to (5.4507800 5.5671800 5.4261300) with tilt (0.12417200 -0.077004400 0.038855100) triclinic box = (0.0000000 0.0000000 0.0000000) to (5.4507800 5.5671800 5.4261300) with tilt (0.12417200 -0.077004400 0.038855100) triclinic box = (0.0000000 0.0000000 0.0000000) to (5.4507800 5.5671800 5.4261300) with tilt (0.12417200 -0.077004400 0.038855100) CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE Your simulation uses code contributions which should be cited: - OpenKIM: https://doi.org/10.1007/s11837-011-0102-6 - OpenKIM potential: https://openkim.org/cite/MO_501246546792_000#item-citation The log file lists these citations in BibTeX format. CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 4000, page size: 100000 master list distance cutoff = 4.8 ghost atom cutoff = 4.8 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, ghost, cut 4.8 pair build: full/nsq/ghost 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) = 5.054 | 5.054 | 5.054 Mbytes v_pe_metal -36.12777 Loop time of 9.812e-06 on 1 procs for 0 steps with 8 atoms 81.5% 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 | | 9.812e-06 | | |100.00 Nlocal: 8.00000 ave 8 max 8 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 162.000 ave 162 max 162 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 0.00000 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 224.000 ave 224 max 224 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 224 Ave neighs/atom = 28.000000 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00