mirror of https://gitlab.com/QEF/q-e.git
63 lines
1.4 KiB
Bash
Executable File
63 lines
1.4 KiB
Bash
Executable File
#!/bin/sh
|
|
|
|
# run from directory where this script is
|
|
cd `dirname $0`
|
|
EXAMPLE_DIR=`pwd`
|
|
|
|
# check whether echo has the -e option
|
|
if test "`echo -e`" = "-e" ; then ECHO=echo ; else ECHO="echo -e" ; fi
|
|
|
|
$ECHO
|
|
$ECHO "$EXAMPLE_DIR : starting"
|
|
$ECHO
|
|
$ECHO "This example shows how to use the FFTTXlib library to perform"
|
|
$ECHO "3D Fourier transform in a scalar and parallel setup."
|
|
|
|
# set the needed environment variables
|
|
. ../../environment_variables
|
|
|
|
# required executables and pseudopotentials
|
|
BIN_LIST="fft_test0.x fft_test.x"
|
|
|
|
BIN_DIR="../../"
|
|
|
|
$ECHO
|
|
$ECHO " executables directory: $BIN_DIR"
|
|
$ECHO " checking that needed directories and files exist...\c"
|
|
|
|
# check for directories
|
|
for DIR in "$BIN_DIR" ; do
|
|
if test ! -d $DIR ; then
|
|
$ECHO
|
|
$ECHO "ERROR: $DIR not existent or not a directory"
|
|
$ECHO "Aborting"
|
|
exit 1
|
|
fi
|
|
done
|
|
for DIR in "$TMP_DIR" "$EXAMPLE_DIR/results" ; do
|
|
if test ! -d $DIR ; then
|
|
mkdir $DIR
|
|
fi
|
|
done
|
|
cd $EXAMPLE_DIR/results
|
|
|
|
# check for executables
|
|
for FILE in $BIN_LIST ; do
|
|
if test ! -x $BIN_DIR/$FILE ; then
|
|
$ECHO
|
|
$ECHO "ERROR: $BIN_DIR/$FILE not existent or not executable"
|
|
$ECHO "Aborting"
|
|
exit 1
|
|
fi
|
|
done
|
|
|
|
$ECHO " done"
|
|
|
|
# how to run executables
|
|
PW_COMMAND="$PARA_PREFIX $BIN_DIR/fft_test0.x $PARA_POSTFIX"
|
|
$ECHO "$PARA_PREFIX $BIN_DIR/fft_test0.x > fft_test0.out "
|
|
$PARA_PREFIX $BIN_DIR/fft_test0.x > fft_test0.out
|
|
|
|
$ECHO
|
|
$ECHO "$EXAMPLE_DIR : done"
|