LAMMPS (09 Jan 2020)
units		metal
dimension	3
boundary	p f p

atom_style	atomic
neighbor	2.0 bin

# create geometry

lattice		sc 10
Lattice spacing in x,y,z = 10 10 10
region		box block 0 10 0 10 0 10
create_box	1 box
Created orthogonal box = (0 0 0) to (100 100 100)
  1 by 1 by 1 MPI processor grid
create_atoms	1 box
Created 1000 atoms
  create_atoms CPU = 0 secs

mass		1 39.95

# LJ potentials

pair_style	lj/cut 8.5
pair_coeff	* * 0.01 3.4 8.5

# initial velocities

velocity	all create 300 482748
fix		1 all nve

# diffusive reflection
# upper wall velocity = 0.1, lower wall fixed

fix ywalls all wall/reflect/stochastic diffusive 2308      ylo EDGE 300 0 0 0 yhi EDGE 300 0.1 0 0

# run

thermo		1000
run		10000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 10.5
  ghost atom cutoff = 10.5
  binsize = 5.25, bins = 20 20 20
  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/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.137 | 3.137 | 3.137 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0          300            0            0    38.739265    41.378094 
    1000    312.67753  -0.87571164            0    39.500614    43.641187 
    2000    320.10672   -1.8866145            0     39.44905    44.817235 
    3000    317.64782    -1.760419            0    39.257725    46.481585 
    4000    320.69015   -2.0183637            0    39.392639    44.958979 
    5000    319.94001   -2.0405034            0    39.273633    42.918123 
    6000    322.34085   -2.0667328            0    39.557427    45.352614 
    7000    320.30901    -1.922786            0    39.438999    44.189986 
    8000    322.25492   -1.9643206            0    39.648742    46.633235 
    9000    326.28632   -2.0989926            0    40.034649    46.114074 
   10000    325.68184   -2.1242578            0    39.931326    45.875723 
Loop time of 0.915023 on 1 procs for 10000 steps with 1000 atoms

Performance: 944.239 ns/day, 0.025 hours/ns, 10928.689 timesteps/s
50.3% CPU use with 1 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.055415   | 0.055415   | 0.055415   |   0.0 |  6.06
Neigh   | 0.002049   | 0.002049   | 0.002049   |   0.0 |  0.22
Comm    | 0.0018332  | 0.0018332  | 0.0018332  |   0.0 |  0.20
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0.85254    | 0.85254    | 0.85254    |   0.0 | 93.17
Other   |            | 0.003183   |            |       |  0.35

Nlocal:    1000 ave 1000 max 1000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    477 ave 477 max 477 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    2325 ave 2325 max 2325 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2325
Ave neighs/atom = 2.325
Neighbor list builds = 97
Dangerous builds = 0
Total wall time: 0:00:00
