#!/usr/bin/env bash

#
BGW_BIN="$HOME/BerkeleyGW/bin"
EPS_EXEC="$BGW_BIN/epsilon.cplx.x"
EPSINVOMEGA_EXEC="$BGW_BIN/epsinvomega.cplx.x"

#
MPI_CMD="aprun -n 1536"
MPI_CMD_FF="aprun -n 768"
MPI_CMD_SERIAL="aprun -n 1"

cd ./epsilon
ln -s ../../ESPRESSO/2_sapo/WFN/wfn.complex ./WFN
ln -s ../../ESPRESSO/2_sapo/WFNq/wfn.complex ./WFNq
$MPI_CMD $EPS_EXEC > ./OUT.eps &

cd ../epsilon_ff
ln -s ../../ESPRESSO/2_sapo/WFN/wfn.complex ./WFN
ln -s ../../ESPRESSO/2_sapo/WFNq/wfn.complex ./WFNq
$MPI_CMD_FF $EPS_EXEC > ./OUT.eps &

wait

cd ../epsinvomega
mv ./epsinvomega1.inp ./epsinvomega.inp
$MPI_CMD_SERIAL $EPSINVOMEGA_EXEC > ./epsinvomega1.out
mv ./epsinvomega.inp ./epsinvomega1.inp
mv ./epsinvomega2.inp ./epsinvomega.inp
$MPI_CMD_SERIAL $EPSINVOMEGA_EXEC > ./epsinvomega2.out
mv ./epsinvomega.inp ./epsinvomega2.inp
