# bulk Cu lattice

variable        N index on      # Newton Setting
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	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

newton          $N
if "$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}