#!/bin/sh
# autopkgtest check
# (C) 2014 Anton Gladky

set -e

export OMPI_MCA_plm_rsh_agent=/bin/false

WORKDIR=$(mktemp -d)
trap "rm -rf $WORKDIR" 0 INT QUIT ABRT PIPE TERM
cd $WORKDIR
mkdir post

cat <<EOF > in.dipole
# Point dipoles in a 2d box

units		lj
atom_style	hybrid sphere dipole
dimension	2

lattice		sq2 0.7
region		box block 0 10 0 10 -0.5 0.5
create_box	1 box
create_atoms	1 box

# need both mass settings due to hybrid atom style

mass		1 1.0
set		group all mass 1.0
set		group all dipole/random 98934 0.75

velocity	all create 0.0 87287 mom no

pair_style	lj/cut/dipole/cut 2.5
pair_coeff	* * 1.0 1.0

neighbor	0.3 bin
neigh_modify	delay 0

fix		1 all nve/sphere update dipole
fix		2 all enforce2d

timestep	0.005

compute		erot all erotate/sphere
thermo_style	custom step temp epair c_erot etotal press
thermo		500

#dump		1 all custom 500 dump.dipole id type x y z mux muy

#dump		1 all image 250 image.*.jpg mux type &
#		zoom 1.6 adiam 1.2
#dump_modify	1 pad 5

run		10000

EOF

mpirun -np 2 lammps < in.dipole
lammps < in.dipole
echo "run: OK"
