# bulk Cu lattice

variable	w index 10      # Warmup Timesteps

variable	t index 3100    # Main Run Timesteps

variable	m index 1       # Main Run Timestep Multiplier

variable	n index 0       # Use NUMA Mapping for Multi-Node

variable	b index 3       # Neighbor binsize

variable	p index 0       # Use Power Measurement

variable	x index 4

variable	y index 2

variable	z index 2

variable	rr equal floor($t*$m)

variable	root getenv LMP_ROOT

if "$n > 0"	then "processors * * * grid numa"

variable	xx equal 20*$x

variable	yy equal 20*$y

variable	zz equal 20*$z

units		metal

atom_style	atomic

lattice		fcc 3.615

region		box block 0 ${xx} 0 ${yy} 0 ${zz}

create_box	1 box

create_atoms	1 box

pair_style	eam

pair_coeff	1 1 ${root}/bench/Cu_u3.eam

velocity	all create 1600.0 376847 loop geom

neighbor	1.0 bin

neigh_modify    every 1 delay 5 check yes

fix		1 all nve

timestep	0.005

thermo		50

if "$p > 0"	then "run_style verlet/power"

if "$w > 0"	then "run $w"

run		${rr}