LAMMPS (7 Feb 2024 - Development - patch_7Feb2024_update1-442-gf1c2a22e2d) # orthogonal box for 2d hex lattice unit cell dimension 2 lattice hex 1.0 Lattice spacing in x,y,z = 1.0745699 1.8612097 1.0745699 region mybox block 0 1 0 1 -0.5 0.5 create_box 1 mybox Created orthogonal box = (0 0 -0.53728497) to (1.0745699 1.8612097 0.53728497) 1 by 1 by 1 MPI processor grid create_atoms 1 box Created 2 atoms using lattice units in orthogonal box = (0 0 -0.53728497) to (1.0745699 1.8612097 0.53728497) create_atoms CPU = 0.000 seconds mass * 1.0 write_data tmp.data.hex.orthog System init for write_data ... WARNING: Communication cutoff is 0.0. No ghost atoms will be generated. Atoms may get lost. (../comm_brick.cpp:210) pair_style lj/cut 1.1 pair_coeff * * 1.0 1.0 neighbor 0.0 bin thermo_style custom step pe avecx avecy bvecx bvecy pxx pyy vol dump 1 all custom 100 tmp.dump.hex.orthog id type x y z run 0 WARNING: No fixes with time integration, atoms won't move (../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: 2000, page size: 100000 master list distance cutoff = 1.1 ghost atom cutoff = 1.1 binsize = 0.55, bins = 2 4 2 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/cut, perpetual attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/2d bin: standard Per MPI rank memory allocation (min/avg/max) = 3.054 | 3.054 | 3.054 Mbytes Step PotEng Avecx Avecy Bvecx Bvecy Pxx Pyy Volume 0 -2.7317286 1.0745699 0 0 1.8612097 6.9923141 6.9923141 2 Loop time of 9.26e-07 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no 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 | | 9.26e-07 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 15 ave 15 max 15 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 6 ave 6 max 6 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 6 Ave neighs/atom = 3 Neighbor list builds = 0 Dangerous builds = 0 Total wall time: 0:00:00