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DAMASK_EICMD
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added linking option for FFTW. 

which LAPACK installation is used can now be selected by switching on IKML, ACML, or LAPACK path (in that order of preference)

(multiuser environments now need to have system-wide installation locations for those libraries, since run_*_marc scripts are set once and for all to use them.)
This commit is contained in:
Philip Eisenlohr 2011-12-20 09:47:27 +00:00
parent c4a4c5cdca
commit 2b6cb3bd84
10 changed files with 130 additions and 58 deletions
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14
installation/mods_MarcMentat/2010.2/Marc_tools/run_h_marc
View File

@ -1856,8 +1856,9 @@ fi
# #
# user subroutine used # user subroutine used
# #
# add BLAS options for linking (taken from ACML, AMD CORE MATH LIBRARY) # add BLAS and FFTW options for linking
AMD_BLAS=" -L %ACMLDIR%/ifort64_mp/lib -lacml_mp" BLAS="%BLAS%"
FFTW="%FFTW%"
if test "$user" if test "$user"
@ -2835,7 +2836,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS \ $SYSLIBS \
$SECLIBS || \ $SECLIBS || \
{ {
@ -3127,7 +3129,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS \ $SYSLIBS \
$SECLIBS || \ $SECLIBS || \
{ {
@ -3418,7 +3421,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS \ $SYSLIBS \
$SECLIBS || \ $SECLIBS || \
{ {

14
installation/mods_MarcMentat/2010.2/Marc_tools/run_marc
View File

@ -1856,8 +1856,9 @@ fi
# #
# user subroutine used # user subroutine used
# #
# add BLAS options for linking (taken from ACML, AMD CORE MATH LIBRARY) # add BLAS and FFTW options for linking
AMD_BLAS=" -L %ACMLDIR%/ifort64_mp/lib -lacml_mp" BLAS="%BLAS%"
FFTW="%FFTW%"
if test "$user" if test "$user"
@ -2835,7 +2836,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS \ $SYSLIBS \
$SECLIBS || \ $SECLIBS || \
{ {
@ -3127,7 +3129,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS \ $SYSLIBS \
$SECLIBS || \ $SECLIBS || \
{ {
@ -3418,7 +3421,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS \ $SYSLIBS \
$SECLIBS || \ $SECLIBS || \
{ {

14
installation/mods_MarcMentat/2010.2/Marc_tools/run_mp_marc
View File

@ -1856,8 +1856,9 @@ fi
# #
# user subroutine used # user subroutine used
# #
# add BLAS options for linking (taken from ACML, AMD CORE MATH LIBRARY) # add BLAS and FFTW options for linking
AMD_BLAS=" -L %ACMLDIR%/ifort64_mp/lib -lacml_mp" BLAS="%BLAS%"
FFTW="%FFTW%"
if test "$user" if test "$user"
@ -2835,7 +2836,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS \ $SYSLIBS \
$SECLIBS || \ $SECLIBS || \
{ {
@ -3127,7 +3129,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS \ $SYSLIBS \
$SECLIBS || \ $SECLIBS || \
{ {
@ -3418,7 +3421,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS \ $SYSLIBS \
$SECLIBS || \ $SECLIBS || \
{ {

14
installation/mods_MarcMentat/2010/Marc_tools/run_h_marc
View File

@ -1817,8 +1817,9 @@ fi
# #
# user subroutine used # user subroutine used
# #
# add BLAS options for linking (taken from ACML, AMD CORE MATH LIBRARY) # add BLAS and FFTW options for linking
AMD_BLAS=" -L %ACMLDIR%/ifort64_mp/lib -lacml_mp" BLAS="%BLAS%"
FFTW="%FFTW%"
if test "$user" if test "$user"
then then
@ -2770,7 +2771,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS || \ $SYSLIBS || \
{ {
echo "$0: link failed for ${user:+$userobj }$objs" echo "$0: link failed for ${user:+$userobj }$objs"
@ -3061,7 +3063,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS || \ $SYSLIBS || \
{ {
echo "$0: link failed for ${user:+$userobj }$objs" echo "$0: link failed for ${user:+$userobj }$objs"
@ -3351,7 +3354,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS || \ $SYSLIBS || \
{ {
echo "$0: link failed for ${user:+$userobj }$objs" echo "$0: link failed for ${user:+$userobj }$objs"

14
installation/mods_MarcMentat/2010/Marc_tools/run_marc
View File

@ -1817,8 +1817,9 @@ fi
# #
# user subroutine used # user subroutine used
# #
# add BLAS options for linking (taken from ACML, AMD CORE MATH LIBRARY) # add BLAS and FFTW options for linking
AMD_BLAS=" -L %ACMLDIR%/ifort64_mp/lib -lacml_mp" BLAS="%BLAS%"
FFTW="%FFTW%"
if test "$user" if test "$user"
@ -2771,7 +2772,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS || \ $SYSLIBS || \
{ {
echo "$0: link failed for ${user:+$userobj }$objs" echo "$0: link failed for ${user:+$userobj }$objs"
@ -3062,7 +3064,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS || \ $SYSLIBS || \
{ {
echo "$0: link failed for ${user:+$userobj }$objs" echo "$0: link failed for ${user:+$userobj }$objs"
@ -3352,7 +3355,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS || \ $SYSLIBS || \
{ {
echo "$0: link failed for ${user:+$userobj }$objs" echo "$0: link failed for ${user:+$userobj }$objs"

14
installation/mods_MarcMentat/2010/Marc_tools/run_mp_marc
View File

@ -1817,8 +1817,9 @@ fi
# #
# user subroutine used # user subroutine used
# #
# add BLAS options for linking (taken from ACML, AMD CORE MATH LIBRARY) # add BLAS and FFTW options for linking
AMD_BLAS=" -L %ACMLDIR%/ifort64_mp/lib -lacml_mp" BLAS="%BLAS%"
FFTW="%FFTW%"
if test "$user" if test "$user"
then then
@ -2770,7 +2771,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS || \ $SYSLIBS || \
{ {
echo "$0: link failed for ${user:+$userobj }$objs" echo "$0: link failed for ${user:+$userobj }$objs"
@ -3061,7 +3063,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS || \ $SYSLIBS || \
{ {
echo "$0: link failed for ${user:+$userobj }$objs" echo "$0: link failed for ${user:+$userobj }$objs"
@ -3351,7 +3354,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS || \ $SYSLIBS || \
{ {
echo "$0: link failed for ${user:+$userobj }$objs" echo "$0: link failed for ${user:+$userobj }$objs"

14
installation/mods_MarcMentat/2011/Marc_tools/run_h_marc
View File

@ -1856,8 +1856,9 @@ fi
# #
# user subroutine used # user subroutine used
# #
# add BLAS options for linking (taken from ACML, AMD CORE MATH LIBRARY) # add BLAS and FFTW options for linking
AMD_BLAS=" -L %ACMLDIR%/ifort64_mp/lib -lacml_mp" BLAS="%BLAS"
FFTW="%FFTW"
if test "$user" if test "$user"
@ -2835,7 +2836,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS \ $SYSLIBS \
$SECLIBS || \ $SECLIBS || \
{ {
@ -3127,7 +3129,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS \ $SYSLIBS \
$SECLIBS || \ $SECLIBS || \
{ {
@ -3418,7 +3421,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS \ $SYSLIBS \
$SECLIBS || \ $SECLIBS || \
{ {

15
installation/mods_MarcMentat/2011/Marc_tools/run_marc
View File

@ -1856,9 +1856,9 @@ fi
# #
# user subroutine used # user subroutine used
# #
# add BLAS options for linking (taken from ACML, AMD CORE MATH LIBRARY) # add BLAS and FFTW options for linking
AMD_BLAS=" -L %ACMLDIR%/ifort64_mp/lib -lacml_mp" BLAS="%BLAS%"
FFTW="%FFTW%"
if test "$user" if test "$user"
then then
@ -2835,7 +2835,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS \ $SYSLIBS \
$SECLIBS || \ $SECLIBS || \
{ {
@ -3127,7 +3128,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS \ $SYSLIBS \
$SECLIBS || \ $SECLIBS || \
{ {
@ -3418,7 +3420,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS \ $SYSLIBS \
$SECLIBS || \ $SECLIBS || \
{ {

14
installation/mods_MarcMentat/2011/Marc_tools/run_mp_marc
View File

@ -1856,8 +1856,9 @@ fi
# #
# user subroutine used # user subroutine used
# #
# add BLAS options for linking (taken from ACML, AMD CORE MATH LIBRARY) # add BLAS and FFTW options for linking
AMD_BLAS=" -L %ACMLDIR%/ifort64_mp/lib -lacml_mp" BLAS="%BLAS%"
FFTW="%FFTW%"
if test "$user" if test "$user"
@ -2835,7 +2836,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS \ $SYSLIBS \
$SECLIBS || \ $SECLIBS || \
{ {
@ -3127,7 +3129,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS \ $SYSLIBS \
$SECLIBS || \ $SECLIBS || \
{ {
@ -3418,7 +3421,8 @@ then
$TKLIBS \ $TKLIBS \
$MRCLIBS \ $MRCLIBS \
$METISLIBS \ $METISLIBS \
$AMD_BLAS \ $BLAS \
$FFTW \
$SYSLIBS \ $SYSLIBS \
$SECLIBS || \ $SECLIBS || \
{ {

61
installation/mods_MarcMentat/apply_DAMASK_modifications
View File

@ -32,21 +32,58 @@ done
INSTALLDIR=${INSTALLDIR%/} # remove trailing slash INSTALLDIR=${INSTALLDIR%/} # remove trailing slash
echo "MSC installation path: $INSTALLDIR" echo "MSC installation path: $INSTALLDIR"
ACMLDIR='' BLASDIR=''
FFTWDIR=''
if [ -f $WORKINGDIR/../../lib/pathinfo ]; then if [ -f $WORKINGDIR/../../lib/pathinfo ]; then
IKMLDIR=`grep ikml $WORKINGDIR/../../lib/pathinfo | head -n1 | awk 'BEGIN { FS = "[ \t]+" } ; { print $2 }'`
ACMLDIR=`grep acml $WORKINGDIR/../../lib/pathinfo | head -n1 | awk 'BEGIN { FS = "[ \t]+" } ; { print $2 }'` ACMLDIR=`grep acml $WORKINGDIR/../../lib/pathinfo | head -n1 | awk 'BEGIN { FS = "[ \t]+" } ; { print $2 }'`
fi LAPACKDIR=`grep lapack $WORKINGDIR/../../lib/pathinfo | head -n1 | awk 'BEGIN { FS = "[ \t]+" } ; { print $2 }'`
while [ ! -d "$ACMLDIR" ] || [ -z "$ACMLDIR" ] FFTWDIR=`grep fftw $WORKINGDIR/../../lib/pathinfo | head -n1 | awk 'BEGIN { FS = "[ \t]+" } ; { print $2 }'`
do if [ -d "$IKMLDIR" ]
echo "Input path of ACML installation: [${DEFAULT_ACMLDIR}]" BLASDIR=$IKMLDIR
read ACMLDIR BLASTYPE='IKML'
if [ -z $ACMLDIR ]; then elif [ -d "$ACMLDIR" ]
ACMLDIR=${DEFAULT_ACMLDIR} BLASDIR=$ACMLDIR
BLASTYPE='ACML'
elif [ -d "$LAPACKDIR" ]
BLASDIR=$LAPACKDIR
BLASTYPE='LAPACK'
fi fi
fi
while [ ! -d "$BLASDIR" ] || [ -z "$BLASDIR" ]
do
echo "Input path of BLAS installation:"
read BLASDIR
echo "Input path of BLAS installation [IKML | ACML | LAPACK]:"
read BLASTYPE
done done
ACMLDIR=${ACMLDIR%/} # remove trailing slash if [ ! -d "$FFTWDIR" ]
echo "ACML installation path: $ACMLDIR" echo "error, FFTW must be installed and specified in DAMASK_ROOT/lib/pathinfo"
exit
fi
BLASDIR=${BLASDIR%/} # remove trailing slash
FFTWDIR=${FFTWDIR%/} # remove trailing slash
case $BLASTYPE in
IKML | ikml)
BLAS=" -mkl"
;;
ACML | acml)
BLAS=" -L $BLASDIR/ifort64_mp/lib -lacml_mp"
;;
LAPACK | lapack)
BLAS=" -L $BLASDIR/lib -llapack"
;;
*)
echo "error, BLAS type must be IKML, ACML, or LAPACK"
exit
;;
esac
FFTW=" -L${FFTWDIR}/lib -lfftw3_threads -lfftw3"
# tools # tools
echo '' echo ''
@ -61,8 +98,9 @@ for filename in 'comp_user' \
'include_linux64'; do 'include_linux64'; do
cp $WORKINGDIR/$VERSION/Marc_tools/$filename $theDIR cp $WORKINGDIR/$VERSION/Marc_tools/$filename $theDIR
echo $theDIR/$filename | xargs perl -pi -e "s:%INSTALLDIR%:${INSTALLDIR}:g" echo $theDIR/$filename | xargs perl -pi -e "s:%INSTALLDIR%:${INSTALLDIR}:g"
echo $theDIR/$filename | xargs perl -pi -e "s:%ACMLDIR%:${ACMLDIR}:g"
echo $theDIR/$filename | xargs perl -pi -e "s:%VERSION%:${VERSION}:g" echo $theDIR/$filename | xargs perl -pi -e "s:%VERSION%:${VERSION}:g"
echo $theDIR/$filename | xargs perl -pi -e "s:%BLAS%:${BLAS}:g"
echo $theDIR/$filename | xargs perl -pi -e "s:%FFTW%:${FFTW}:g"
echo $filename echo $filename
done done
@ -76,7 +114,6 @@ for filename in 'edit_window' \
'submit3'; do 'submit3'; do
cp $WORKINGDIR/$VERSION/Mentat_bin/$filename $theDIR cp $WORKINGDIR/$VERSION/Mentat_bin/$filename $theDIR
echo $theDIR/$filename | xargs perl -pi -e "s:%INSTALLDIR%:${INSTALLDIR}:g" echo $theDIR/$filename | xargs perl -pi -e "s:%INSTALLDIR%:${INSTALLDIR}:g"
echo $theDIR/$filename | xargs perl -pi -e "s:%ACMLDIR%:${ACMLDIR}:g"
echo $theDIR/$filename | xargs perl -pi -e "s:%VERSION%:${VERSION}:g" echo $theDIR/$filename | xargs perl -pi -e "s:%VERSION%:${VERSION}:g"
echo $filename echo $filename
done done