LAMMPS (9 Oct 2020)
  using 1 OpenMP thread(s) per MPI task
# DPD benchmark

units		lj
atom_style	atomic
comm_modify     mode single vel yes

lattice		fcc 3.0
Lattice spacing in x,y,z = 1.1006424 1.1006424 1.1006424
region		box block 0 20 0 20 0 20
create_box	1 box
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (22.012848 22.012848 22.012848)
  1 by 1 by 1 MPI processor grid
create_atoms	1 box
Created 32000 atoms
  create_atoms CPU = 0.002 seconds
mass		1 1.0

velocity	all create 1.0 87287 loop geom

pair_style	dpd 1.0 1.0 928948
pair_coeff	1 1 25.0 4.5

neighbor	0.5 bin
neigh_modify    delay 0 every 1

fix		1 all nve
timestep	0.04

run		100
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 1.5
  ghost atom cutoff = 1.5
  binsize = 0.75, bins = 30 30 30
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair dpd, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.32 | 11.32 | 11.32 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            1    3.6872574            0    5.1872105    28.880274 
     100    1.0246036    4.5727353            0    6.1095927    23.859969 
Loop time of 2.63541 on 1 procs for 100 steps with 32000 atoms

Performance: 131137.146 tau/day, 37.945 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.1841     | 1.1841     | 1.1841     |   0.0 | 44.93
Neigh   | 1.3737     | 1.3737     | 1.3737     |   0.0 | 52.12
Comm    | 0.04266    | 0.04266    | 0.04266    |   0.0 |  1.62
Output  | 9.5844e-05 | 9.5844e-05 | 9.5844e-05 |   0.0 |  0.00
Modify  | 0.020128   | 0.020128   | 0.020128   |   0.0 |  0.76
Other   |            | 0.01468    |            |       |  0.56

Nlocal:        32000.0 ave       32000 max       32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        14981.0 ave       14981 max       14981 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:       660587.0 ave      660587 max      660587 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 660587
Ave neighs/atom = 20.643344
Neighbor list builds = 50
Dangerous builds = 0
Total wall time: 0:00:02
