LAMMPS (16 Mar 2018)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
  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 = 1.10064 1.10064 1.10064
region		box block 0 20 0 20 0 20
create_box	1 box
Created orthogonal box = (0 0 0) to (22.0128 22.0128 22.0128)
  1 by 2 by 2 MPI processor grid
create_atoms	1 box
Created 32000 atoms
  Time spent = 0.000589132 secs
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) = 3.874 | 3.874 | 3.874 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            1    3.6872574            0    5.1872105    28.911346 
     100    1.0219182    4.5817845            0    6.1146139    23.803115 
Loop time of 0.83904 on 4 procs for 100 steps with 32000 atoms

Performance: 411899.440 tau/day, 119.184 timesteps/s
99.3% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.39605    | 0.40101    | 0.40702    |   0.6 | 47.79
Neigh   | 0.38186    | 0.38494    | 0.38738    |   0.4 | 45.88
Comm    | 0.032073   | 0.039688   | 0.045953   |   2.9 |  4.73
Output  | 4.4823e-05 | 5.4002e-05 | 7.844e-05  |   0.0 |  0.01
Modify  | 0.0056572  | 0.0056887  | 0.0057547  |   0.1 |  0.68
Other   |            | 0.007655   |            |       |  0.91

Nlocal:    8000 ave 8014 max 7986 min
Histogram: 1 1 0 0 0 0 0 0 1 1
Nghost:    6744 ave 6764 max 6726 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Neighs:    165107 ave 166433 max 163419 min
Histogram: 1 0 1 0 0 0 0 0 0 2

Total # of neighbors = 660428
Ave neighs/atom = 20.6384
Neighbor list builds = 50
Dangerous builds = 0
Total wall time: 0:00:00
