1LAMMPS (22 Aug 2018)
2# 3d Lennard-Jones melt - server script
3
4variable        mode index file
5
6if "${mode} == file" then   "message server md file tmp.couple" elif "${mode} == zmq"   "message server md zmq *:5555" elif "${mode} == mpione"   "message server md mpi/one" elif "${mode} == mpitwo"   "message server md mpi/two tmp.couple"
7message server md file tmp.couple
8
9units		lj
10atom_style	atomic
11atom_modify     map yes
12
13lattice		fcc 0.8442
14Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
15region		box block 0 1 0 1 0 1
16create_box	1 box
17Created orthogonal box = (0 0 0) to (1.6796 1.6796 1.6796)
18  1 by 1 by 1 MPI processor grid
19mass            * 1.0      # masses not used by server
20
21pair_style	lj/cut 2.5
22pair_coeff	1 1 1.0 1.0 2.5
23
24neighbor	0.3 bin
25neigh_modify	delay 0 every 1 check yes
26
27server          md
28  1 by 1 by 1 MPI processor grid
29WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
30Neighbor list info ...
31  update every 1 steps, delay 0 steps, check yes
32  max neighbors/atom: 2000, page size: 100000
33  master list distance cutoff = 2.8
34  ghost atom cutoff = 2.8
35  binsize = 1.4, bins = 6 6 6
36  1 neighbor lists, perpetual/occasional/extra = 1 0 0
37  (1) pair lj/cut, perpetual
38      attributes: half, newton on
39      pair build: half/bin/atomonly/newton
40      stencil: half/bin/3d/newton
41      bin: standard
42Server MD calls = 51
43Server MD reneighborings 5
44Total wall time: 0:00:05
45