LAMMPS (30 Apr 2015)
# FENE beadspring benchmark

units		lj
atom_style	bond
special_bonds   fene

read_data	data.chain
  orthogonal box = (-16.796 -16.796 -16.796) to (16.796 16.796 16.796)
  1 by 2 by 2 MPI processor grid
  reading atoms ...
  32000 atoms
  reading velocities ...
  32000 velocities
  scanning bonds ...
  1 = max bonds/atom
  reading bonds ...
  31680 bonds
  2 = max # of 1-2 neighbors
  2 = max # of special neighbors

neighbor	0.4 bin
neigh_modify	every 1 delay 1

bond_style      fene
bond_coeff	1 30.0 1.5 1.0 1.0

pair_style	lj/cut 1.12
pair_modify	shift yes
pair_coeff	1 1 1.0 1.0 1.12

fix		1 all nve
fix		2 all langevin 1.0 1.0 10.0 904297

thermo          100
timestep	0.012

run		100
Neighbor list info ...
  1 neighbor list requests
  update every 1 steps, delay 1 steps, check yes
  master list distance cutoff = 1.52
Memory usage per processor = 3.91518 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0   0.97029772   0.44484087    20.494523    22.394765    4.6721833 
     100   0.97145835   0.43803883    20.502691    22.397872     4.626988 
Loop time of 0.274371 on 4 procs for 100 steps with 32000 atoms

Pair  time (%) = 0.0504887 (18.4016)
Bond  time (%) = 0.0229129 (8.35106)
Neigh time (%) = 0.119957 (43.7206)
Comm  time (%) = 0.020835 (7.59373)
Outpt time (%) = 5.74589e-05 (0.0209421)
Other time (%) = 0.0601202 (21.912)

Nlocal:    8000 ave 8030 max 7974 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Nghost:    4177 ave 4191 max 4160 min
Histogram: 1 0 0 0 1 0 0 1 0 1
Neighs:    38995.8 ave 39169 max 38852 min
Histogram: 1 0 0 1 1 0 0 0 0 1

Total # of neighbors = 155983
Ave neighs/atom = 4.87447
Ave special neighs/atom = 1.98
Neighbor list builds = 25
Dangerous builds = 0
