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 2 by 2 MPI processor grid
create_atoms	1 box
Created 1000 atoms
  create_atoms CPU = 0.000599861 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

# Maxwellian reflection
# upper wall velocity = 0.1, lower wall fixed,
# accommodation coefficient = 0.2 for both walls

fix ywalls all wall/reflect/stochastic maxwell 29839      ylo EDGE 300 0 0 0 0.2 yhi EDGE 300 0 0 0.1 0.2

# 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) = 3.085 | 3.09 | 3.096 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0          300            0            0    38.739265    41.378094 
    1000    306.84606  -0.81991676            0    38.803387    42.677043 
    2000    315.55292   -1.9938298            0    38.753798    43.826963 
    3000    315.05535   -1.9899076            0    38.693469    43.699674 
    4000    313.78121   -1.8410878            0    38.677757    44.457758 
    5000     317.0712   -2.1014946            0     38.84219    43.200259 
    6000    316.56544   -2.0144551            0    38.863921    44.622296 
    7000    318.00823   -2.0601205            0    39.004564     45.31096 
    8000    316.36755   -1.8389853            0    39.013836     45.50011 
    9000       318.31   -2.1029696            0    39.000683    44.238038 
   10000    317.06931   -2.0706174            0    38.872823    44.009842 
Loop time of 0.372642 on 4 procs for 10000 steps with 1000 atoms

Performance: 2318.579 ns/day, 0.010 hours/ns, 26835.401 timesteps/s
94.8% CPU use with 4 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.060702   | 0.074426   | 0.103      |   6.3 | 19.97
Neigh   | 0.006001   | 0.0081906  | 0.010001   |   1.6 |  2.20
Comm    | 0.13       | 0.18175    | 0.21098    |   7.2 | 48.77
Output  | 0          | 6.2346e-05 | 0.00024939 |   0.0 |  0.02
Modify  | 0.039276   | 0.066821   | 0.090003   |   7.1 | 17.93
Other   |            | 0.04139    |            |       | 11.11

Nlocal:    250 ave 278 max 221 min
Histogram: 1 1 0 0 0 0 0 0 0 2
Nghost:    286.25 ave 308 max 263 min
Histogram: 1 1 0 0 0 0 0 0 1 1
Neighs:    573.5 ave 724 max 413 min
Histogram: 1 1 0 0 0 0 0 0 1 1

Total # of neighbors = 2294
Ave neighs/atom = 2.294
Neighbor list builds = 99
Dangerous builds = 0
Total wall time: 0:00:00
