LAMMPS (4 Feb 2025) using 1 OpenMP thread(s) per MPI task Reading restart file ... restart file = 29 Aug 2024, LAMMPS = 4 Feb 2025 WARNING: Restart file used different # of processors: 8 vs. 40 (src/read_restart.cpp:628) restoring atom style full from restart orthogonal box = (-23.818748 -23.818748 -23.818748) to (23.818748 23.818748 23.818748) 2 by 4 by 5 MPI processor grid restoring pair style lj/class2/coul/long from restart restoring bond style class2 from restart restoring angle style class2 from restart restoring dihedral style class2 from restart restoring improper style class2 from restart 10368 atoms 10432 bonds 19456 angles 24096 dihedrals 11904 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 1 special bond factors coul: 0 0 1 4 = max # of 1-2 neighbors 9 = max # of 1-3 neighbors 12 = max # of special neighbors special bonds CPU = 0.012 seconds read_restart CPU = 0.049 seconds System init for write_data ... PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.17937401 grid = 12 12 12 stencil order = 5 estimated absolute RMS force accuracy = 0.017926798 estimated relative force accuracy = 5.398602e-05 using double precision MKL FFT 3d grid and FFT values/proc = 704 72 Generated 45 of 45 mixed pair_coeff terms from sixthpower/sixthpower mixing rule Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 5000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/class2/coul/long, perpetual attributes: half, newton on pair build: half/bin/newton stencil: half/bin/3d bin: standard Total wall time: 0:00:00