LAMMPS (22 Aug 2018)
# small W unit cell for use with VASP

variable        mode index file

if "${mode} == file" then   "message client md file tmp.couple" elif "${mode} == zmq"   "message client md zmq localhost:5555"
message client md zmq localhost:5555
variable	x index 1
variable	y index 1
variable	z index 1

units		metal
atom_style	atomic
atom_modify     sort 0 0.0 map yes

read_data       data.W
  orthogonal box = (0 0 0) to (3.16 3.16 3.16)
  1 by 1 by 2 MPI processor grid
  reading atoms ...
  2 atoms
mass		1 183.85

replicate       $x $y $z
replicate       1 $y $z
replicate       1 1 $z
replicate       1 1 1
  orthogonal box = (0 0 0) to (3.16 3.16 3.16)
  1 by 1 by 2 MPI processor grid
  2 atoms
  Time spent = 0.000148058 secs

velocity	all create 300.0 87287 loop geom

neighbor	0.3 bin
neigh_modify	delay 0 every 10 check no

fix		1 all nve
fix             2 all client/md
fix_modify      2 energy yes

thermo          1
run		3
Per MPI rank memory allocation (min/avg/max) = 1.8 | 1.8 | 1.8 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0          300            0            0   -48.030793   -78159.503 
       1    298.24318            0            0    -48.03102    -78167.19 
       2    296.85584            0            0   -48.031199    -78173.26 
       3    295.83795            0            0   -48.031331   -78177.714 
Loop time of 0.457491 on 2 procs for 3 steps with 2 atoms

Performance: 0.567 ns/day, 42.360 hours/ns, 6.558 timesteps/s
50.1% CPU use with 2 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 1.3828e-05 | 2.9922e-05 | 4.6015e-05 |   0.0 |  0.01
Output  | 7.5817e-05 | 9.3937e-05 | 0.00011206 |   0.0 |  0.02
Modify  | 0.45735    | 0.45736    | 0.45736    |   0.0 | 99.97
Other   |            | 1.204e-05  |            |       |  0.00

Nlocal:    1 ave 1 max 1 min
Histogram: 2 0 0 0 0 0 0 0 0 0
Nghost:    4 ave 4 max 4 min
Histogram: 2 0 0 0 0 0 0 0 0 0
Neighs:    0 ave 0 max 0 min
Histogram: 2 0 0 0 0 0 0 0 0 0

Total # of neighbors = 0
Ave neighs/atom = 0
Neighbor list builds = 0
Dangerous builds not checked

Total wall time: 0:01:21