LAMMPS (7 Feb 2024 - Development - patch_7Feb2024_update1-442-gf1c2a22e2d)
WARNING: Using I/O redirection is unreliable with parallel runs. Better to use the -in switch to read input files. (../lammps.cpp:551)
# orthogonal box for fcc lattice unit cell

lattice       fcc 1.1
Lattice spacing in x,y,z = 1.5377619 1.5377619 1.5377619

region        mybox block 0 1 0 1 0 1
create_box    1 mybox
Created orthogonal box = (0 0 0) to (1.5377619 1.5377619 1.5377619)
  2 by 1 by 2 MPI processor grid
create_atoms  1 box
Created 4 atoms
  using lattice units in orthogonal box = (0 0 0) to (1.5377619 1.5377619 1.5377619)
  create_atoms CPU = 0.000 seconds

mass          * 1.0

write_data    tmp.data.fcc.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 1.2
pair_coeff    * * 1.0 1.0

neighbor      0.0 bin

thermo_style  custom step pe avecx avecy avecz bvecx bvecy bvecz               cvecx cvecy cvecz pxx pyy pzz vol

dump          1 all custom 100 tmp.dump.fcc.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 = 1.2
  ghost atom cutoff = 1.2
  binsize = 0.6, bins = 3 3 3
  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/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.074 | 3.074 | 3.074 Mbytes
   Step         PotEng         Avecx          Avecy          Avecz          Bvecx          Bvecy          Bvecz          Cvecx          Cvecy          Cvecz           Pxx            Pyy            Pzz           Volume    
         0  -5.7354         1.5377619      0              0              0              1.5377619      0              0              0              1.5377619      6.70824        6.70824        6.70824        3.6363636    
Loop time of 3.291e-06 on 4 procs for 0 steps with 4 atoms

76.0% CPU use with 4 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   |            | 3.291e-06  |            |       |100.00

Nlocal:              1 ave           1 max           1 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost:             39 ave          39 max          39 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs:              6 ave           6 max           6 min
Histogram: 4 0 0 0 0 0 0 0 0 0

Total # of neighbors = 24
Ave neighs/atom = 6
Neighbor list builds = 0
Dangerous builds = 0
Total wall time: 0:00:00
