LAMMPS (2 Aug 2023 - Update 1) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task The 'box' command has been removed and will be ignored Created triclinic box = (0 0 0) to (3.09377 3.08074 3.0976) with tilt (-0.00781563 -0.0406717 0.0475994) 1 by 1 by 1 MPI processor grid Scanning dump file ... Reading snapshot from dump file ... triclinic box = (0 0 0) to (3.09377 3.08074 3.0976) with tilt (-0.00781563 -0.0406717 0.0475994) 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 (3.09377 3.08074 3.0976) with tilt (-0.00781563 -0.0406717 0.0475994) triclinic box = (0 0 0) to (3.09377 3.08074 3.0976) with tilt (-0.00781563 -0.0406717 0.0475994) triclinic box = (0 0 0) to (3.09377 3.08074 3.0976) with tilt (-0.00781563 -0.0406717 0.0475994) triclinic box = (0 0 0) to (3.09377 3.08074 3.0976) with tilt (-0.00781563 -0.0406717 0.0475994) triclinic box = (0 0 0) to (3.09377 3.08074 3.0976) with tilt (-0.00781563 -0.0406717 0.0475994) triclinic box = (0 0 0) to (3.09377 3.08074 3.0976) with tilt (-0.00781563 -0.0406717 0.0475994) WARNING: KIM Model does not provide 'partialParticleVirial'; virial per atom will be zero (src/KIM/pair_kim.cpp:1127) CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE Your simulation uses code contributions which should be cited: - OpenKIM Project: doi:10.1007/s11837-011-0102-6 - OpenKIM potential: https://openkim.org/cite/MO_196181738937_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 WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60) Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 4000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: full, newton off, ghost, cut 6 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) = 6.977 | 6.977 | 6.977 Mbytes v_pe_metal -9.7383476 Loop time of 1.663e-06 on 1 procs for 0 steps with 2 atoms 180.4% 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 | | 1.663e-06 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 2329 ave 2329 max 2329 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: 116 ave 116 max 116 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 116 Ave neighs/atom = 58 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:02