lammps/examples/gpu/in.gpu.melt.5.0

# 3d Lennard-Jones melt

newton          off
package 	gpu force/neigh 0 1 1 threads_per_atom 8

variable	x index 2
variable	y index 2
variable	z index 2

variable	xx equal 20*$x
variable	yy equal 20*$y
variable	zz equal 20*$z

units		lj
atom_style	atomic

lattice		fcc 0.8442
region		box block 0 ${xx} 0 ${yy} 0 ${zz}
create_box	1 box
create_atoms	1 box
mass		1 1.0

velocity	all create 1.44 87287 loop geom

pair_style	lj/cut/gpu 5.0
pair_coeff	1 1 1.0 1.0 5.0

neighbor	0.3 bin
neigh_modify	delay 0 every 20 check no

fix		1 all nve

thermo 		100
run		1000