LAMMPS (3 Nov 2022)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
Lattice spacing in x,y,z = 1.6795962 1.6795962 1.6795962
Created orthogonal box = (0 0 0) to (33.591924 33.591924 33.591924)
  4 by 5 by 6 MPI processor grid
Created 32000 atoms
  using lattice units in orthogonal box = (0 0 0) to (33.591924 33.591924 33.591924)
  create_atoms CPU = 0.002 seconds
Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update: every = 20 steps, delay = 0 steps, check = no
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 2.8
  ghost atom cutoff = 2.8
  binsize = 1.4, bins = 24 24 24
  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
Setting up Verlet run ...
  Unit style    : lj
  Current step  : 0
  Time step     : 0.005
Per MPI rank memory allocation (min/avg/max) = 2.621 | 2.624 | 2.631 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   1.44          -6.7733681      0             -4.6134356     -5.0197073    
       100   0.7574531     -5.7585055      0             -4.6223613      0.20726105   
Loop time of 0.0411089 on 120 procs for 100 steps with 32000 atoms

Performance: 1050867.325 tau/day, 2432.563 timesteps/s, 77.842 Matom-step/s
99.0% CPU use with 120 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.0087878  | 0.01022    | 0.016577   |   0.8 | 24.86
Neigh   | 0.0017377  | 0.0019256  | 0.002074   |   0.2 |  4.68
Comm    | 0.022207   | 0.028559   | 0.030207   |   0.5 | 69.47
Output  | 3.1841e-05 | 8.4944e-05 | 0.00014    |   0.0 |  0.21
Modify  | 0.00018662 | 0.00021489 | 0.00025897 |   0.0 |  0.52
Other   |            | 0.0001043  |            |       |  0.25

Nlocal:        266.667 ave         290 max         245 min
Histogram: 4 6 17 19 21 15 13 14 8 3
Nghost:        1416.17 ave        1465 max        1360 min
Histogram: 15 13 11 2 1 5 21 29 17 6
Neighs:        10023.6 ave       11022 max        8864 min
Histogram: 2 2 14 14 18 24 14 24 6 2

Total # of neighbors = 1202833
Ave neighs/atom = 37.588531
Neighbor list builds = 5
Dangerous builds not checked
Total wall time: 0:00:00