# environment_variables -- settings for running 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
#     ESPRESSO source tree.
# PSEUDO_DIR = path of pseudopotentials required by the examples
#     If you have downloaded the full ESPRESSO distribution, they
#     should be already in $TOPDIR/pseudo; otherwise you may download
#     them from www.pwscf.org/pseudo.htm
# 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!).

#Let's set some of the directories automatically assuming the usual
#espresso tree, and that the examples are in examples/exampleNN

PREFIX=`cd ../.. ; pwd`
BIN_DIR=$PREFIX/bin
PSEUDO_DIR=$PREFIX/pseudo
TMP_DIR=$HOME/tmp

# 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="poe"
# max. 8 tasks en 5 min interactively op huygens
PARA_POSTFIX="-procs 1 -npool 1"