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 1 by 1 MPI processor grid
create_atoms	1 box
Created 32000 atoms
  Time spent = 0.0018332 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) = 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 3.09286 on 1 procs for 100 steps with 32000 atoms

Performance: 111741.340 tau/day, 32.333 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.5326     | 1.5326     | 1.5326     |   0.0 | 49.55
Neigh   | 1.4771     | 1.4771     | 1.4771     |   0.0 | 47.76
Comm    | 0.044292   | 0.044292   | 0.044292   |   0.0 |  1.43
Output  | 0.00011039 | 0.00011039 | 0.00011039 |   0.0 |  0.00
Modify  | 0.022322   | 0.022322   | 0.022322   |   0.0 |  0.72
Other   |            | 0.01648    |            |       |  0.53

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

Total # of neighbors = 660587
Ave neighs/atom = 20.6433
Neighbor list builds = 50
Dangerous builds = 0
Total wall time: 0:00:03
