# environment_variables -- settings for running Quantum ESPRESSO examples

######## YOU MUST EDIT THIS FILE TO MATCH YOUR CONFIGURATION ########

# BIN_DIR = path of compiled executables
#     Usually this is $TOPDIR/bin, where $TOPDIR is the root of the
#     Quantum ESPRESSO source tree.
# PSEUDO_DIR = path of pseudopotentials required by the examples
#     If you have downloaded the full distribution, they should already
#     be in $TOPDIR/pseudo; otherwise you may download them from the
#     www.quantum-espresso.org web site
# TMP_DIR = temporary directory to be used by the examples
#     Make sure that it exists, is writable by you, and doesn't
#     contain any valuable data (everything there will be destroyed!).

# The following should be good in many cases 

PREFIX=`cd ../.. ; pwd`
BIN_DIR=$PREFIX/bin
PSEUDO_DIR=$PREFIX/pseudo
# Beware: everything in $TMP_DIR will be destroyed !
TMP_DIR=$HOME/tmp

# needed if some PP has to be downloaded from web site
WGET="wget -O"
# for machines that do not have wget (e.g. Mac OS-X)
WGET="curl -o"

# To run the ESPRESSO programs on a parallel machine, you may have to
# add the appropriate commands (poe, mpirun, mpprun...) and/or options
# (specifying number of processors, pools...) before and after the
# executable's name.  That depends on how your machine is configured.
# For example on an IBM SP4:
#
#     poe             pw.x -procs 4              < file.in > file.out
#     ^^^ PARA_PREFIX      ^^^^^^^^ PARA_POSTFIX
#
# To run on a single processor, you can usually leave them empty.

#PARA_PREFIX="mpirun -np 2"
PARA_PREFIX=" "
PARA_POSTFIX=
