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 (10.5856 9.06493 10.3176) with tilt (-5.4462 -0.279622 0.188792) WARNING: Triclinic box skew is large. LAMMPS will run inefficiently. (src/domain.cpp:220) 1 by 1 by 1 MPI processor grid Scanning dump file ... Reading snapshot from dump file ... triclinic box = (0 0 0) to (10.5856 9.06493 10.3176) with tilt (-5.4462 -0.279622 0.188792) 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. LAMMPS will run inefficiently. (src/domain.cpp:220) triclinic box = (0 0 0) to (10.5856 9.06493 10.3176) with tilt (-5.4462 -0.279622 0.188792) WARNING: Triclinic box skew is large. LAMMPS will run inefficiently. (src/domain.cpp:220) triclinic box = (0 0 0) to (10.5856 9.06493 10.3176) with tilt (-5.4462 -0.279622 0.188792) WARNING: Triclinic box skew is large. LAMMPS will run inefficiently. (src/domain.cpp:220) triclinic box = (0 0 0) to (10.5856 9.06493 10.3176) with tilt (-5.4462 -0.279622 0.188792) WARNING: Triclinic box skew is large. LAMMPS will run inefficiently. (src/domain.cpp:220) triclinic box = (0 0 0) to (10.5856 9.06493 10.3176) with tilt (-5.4462 -0.279622 0.188792) WARNING: Triclinic box skew is large. LAMMPS will run inefficiently. (src/domain.cpp:220) triclinic box = (0 0 0) to (10.5856 9.06493 10.3176) with tilt (-5.4462 -0.279622 0.188792) WARNING: Triclinic box skew is large. LAMMPS will run inefficiently. (src/domain.cpp:220) triclinic box = (0 0 0) to (10.5856 9.06493 10.3176) with tilt (-5.4462 -0.279622 0.188792) 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) = 10.85 | 10.85 | 10.85 Mbytes v_pe_metal -309.66895 Loop time of 2.905e-06 on 1 procs for 0 steps with 64 atoms 172.1% 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 | | 2.905e-06 | | |100.00 Nlocal: 64 ave 64 max 64 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 4255 ave 4255 max 4255 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: 4042 ave 4042 max 4042 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 4042 Ave neighs/atom = 63.15625 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:03