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DAMASK_EICMD
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updated Marc/Mentat scripts 

submit1 now usese O1 optimization
submit2 now usese O2 optimization
submit3 now usese O1 optimization plus openMP

added posibility to choose preferred editor in apply_DAMASK_modifications
This commit is contained in:
Franz Roters 2012-11-13 15:27:06 +00:00
parent 1438812461
commit 93a5a0be50
26 changed files with 127 additions and 107 deletions
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2
installation/mods_MarcMentat/2010.2/Marc_tools/comp_user_mp
View File

@ -16,7 +16,7 @@ DIRJOB=$2
cd $DIRJOB
echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
$FORTHIGHMP $user || \
$FORTRANMP $user || \
{
echo "$0: compile failed for $user"
exit 1

27
installation/mods_MarcMentat/2010.2/Marc_tools/include_linux64
View File

@ -325,13 +325,13 @@ then
fi
if test "$MARC_INTEGER_SIZE" = "i4" ; then
I8FFLAGS=
I8DEFINES=
I8FFLAGS="-real-size 64 -integer-size 32"
I8DEFINES="-DFLOAT=8 -DINT=4"
I8CDEFINES=
I8CASIDEFS=
else
I8FFLAGS="-i8"
I8DEFINES="-DI64"
I8FFLAGS="-i8 -real-size 64 -integer-size 64"
I8DEFINES="-DI64 -DFLOAT=8 -DINT=8"
I8CDEFINES="-U_DOUBLE -D_SINGLE"
I8CASIDEFS="-DCASI_64BIT_INT=1"
fi
@ -396,10 +396,13 @@ FORTLOW="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRAN="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp -WB -w90 -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGH="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp -WB -w90 -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
FORTRANMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp -WB -w90 -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-openmp -openmp_report2 \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGHMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -fpp -zero -mp -WB -w90 -fno-alias -O3 \
-openmp -openmp_report2 $I8FFLAGS -I$MARC_SOURCE/common \
FORTHIGH="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp -WB -w90 -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGHMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp -WB -w90 -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
-openmp -openmp_report2 \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTNA="$FCOMP -c -assume byterecl -safe_cray_ptr -save -fpp -zero -mp -WB -w90 -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
@ -409,13 +412,15 @@ then
FORTLOW="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp -WB -w90 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRAN="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp -WB -w90 $I8FFLAGS -I$MARC_SOURCE/common \
-openmp -openmp_report2 \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRANMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp -WB -w90 $I8FFLAGS -I$MARC_SOURCE/common \
-openmp -openmp_report2 \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGH="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp -WB -w90 -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-openmp -openmp_report2 \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGHMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp -WB -w90 -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGHMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -fpp -zero -mp -WB -w90 -fno-alias -O3 \
-openmp -openmp_report2 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTNA="$FCOMP -c -assume byterecl -safe_cray_ptr -save -fpp -zero -mp -WB -w90 -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
fi

12
installation/mods_MarcMentat/2010.2/Marc_tools/run_mp_marc
View File

@ -2803,14 +2803,14 @@ then
then
if test $MACHINENAME = "CRAY"
then
$FORTHIGHMP $user || \
$FORTRANMP $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
$FORTHIGHMP $user -o $userobj || \
$FORTRANMP $user -o $userobj || \
{
echo "$0: compile failed for $user"
exit 1
@ -3093,7 +3093,7 @@ then
userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
$FORTHIGHMP $user || \
$FORTRANMP $user || \
{
echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
@ -3101,7 +3101,7 @@ then
}
/bin/rm $program 2>/dev/null
else
$FORTHIGHMP $user -o $userobj || \
$FORTRANMP $user -o $userobj || \
{
echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
@ -3386,14 +3386,14 @@ then
userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
$FORTHIGHMP $user || \
$FORTRANMP $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
$FORTHIGHMP $user -o $userobj || \
$FORTRANMP $user -o $userobj || \
{
echo "$0: compile failed for $user"
exit 1

2
installation/mods_MarcMentat/2010.2/Mentat_bin/edit_window
View File

@ -9,4 +9,4 @@ else
fi
# $dir/xterm -T "vi $*" -n "vi $*" -e vi $*
kwrite $*
%EDITOR% $*

2
installation/mods_MarcMentat/2010.2/Mentat_bin/submit1
View File

@ -149,7 +149,7 @@ rm -f $job.log
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_h_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
"${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode > /dev/null 2>&1

2
installation/mods_MarcMentat/2010.2/Mentat_bin/submit2
View File

@ -149,7 +149,7 @@ rm -f $job.log
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
"${DIR}/tools/run_h_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode > /dev/null 2>&1

2
installation/mods_MarcMentat/2010/Marc_tools/comp_user_mp
View File

@ -16,7 +16,7 @@ DIRJOB=$2
cd $DIRJOB
echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
$FORTHIGHMP $user || \
$FORTRANMP $user || \
{
echo "$0: compile failed for $user"
exit 1

24
installation/mods_MarcMentat/2010/Marc_tools/include_linux64
View File

@ -296,13 +296,13 @@ then
fi
if test "$MARC_INTEGER_SIZE" = "i4" ; then
I8FFLAGS=
I8DEFINES=
I8FFLAGS="-real-size 64 -integer-size 32"
I8DEFINES="-DFLOAT=8 -DINT=4"
I8CDEFINES=
I8CASIDEFS=
else
I8FFLAGS="-i8"
I8DEFINES="-DI64"
I8FFLAGS="-i8 -real-size 64 -integer-size 64"
I8DEFINES="-DI64 -DFLOAT=8 -DINT=8"
I8CDEFINES="-U_DOUBLE -D_SINGLE"
I8CASIDEFS="-DCASI_64BIT_INT=1"
fi
@ -367,10 +367,13 @@ FORTLOW="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRAN="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp -WB -w90 -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGH="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp -WB -w90 -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
FORTRANMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp -WB -w90 -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-openmp -openmp_report2 \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGHMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -fpp -zero -mp -WB -w90 -fno-alias -O3 \
-openmp -openmp_report2 $I8FFLAGS -I$MARC_SOURCE/common \
FORTHIGH="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp -WB -w90 -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGHMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -fpp -zero -mp -WB -w90 -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
-openmp -openmp_report2 \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTNA="$FCOMP -c -assume byterecl -safe_cray_ptr -save -fpp -zero -mp -WB -w90 -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
@ -381,10 +384,13 @@ then
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRAN="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp -WB -w90 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRANMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp -WB -w90 $I8FFLAGS -I$MARC_SOURCE/common \
-openmp -openmp_report2 $I8FFLAGS \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGH="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp -WB -w90 -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGHMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -fpp -zero -mp -WB -w90 -fno-alias -O3 \
-openmp -openmp_report2 $I8FFLAGS -I$MARC_SOURCE/common \
FORTHIGHMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -fpp -zero -mp -WB -w90 -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
-openmp -openmp_report2 $I8FFLAGS \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTNA="$FCOMP -c -assume byterecl -safe_cray_ptr -save -fpp -zero -mp -WB -w90 -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"

12
installation/mods_MarcMentat/2010/Marc_tools/run_mp_marc
View File

@ -2738,14 +2738,14 @@ then
then
if test $MACHINENAME = "CRAY"
then
$FORTHIGHMP $user || \
$FORTRANMP $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
$FORTHIGHMP $user -o $userobj || \
$FORTRANMP $user -o $userobj || \
{
echo "$0: compile failed for $user"
exit 1
@ -3027,7 +3027,7 @@ then
userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
$FORTHIGHMP $user || \
$FORTRANMP $user || \
{
echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
@ -3035,7 +3035,7 @@ then
}
/bin/rm $program 2>/dev/null
else
$FORTHIGHMP $user -o $userobj || \
$FORTRANMP $user -o $userobj || \
{
echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
@ -3319,14 +3319,14 @@ then
userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
$FORTHIGHMP $user || \
$FORTRANMP $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
$FORTHIGHMP $user -o $userobj || \
$FORTRANMP $user -o $userobj || \
{
echo "$0: compile failed for $user"
exit 1

2
installation/mods_MarcMentat/2010/Mentat_bin/edit_window
View File

@ -9,4 +9,4 @@ else
fi
# $dir/xterm -T "vi $*" -n "vi $*" -e vi $*
kwrite $*
%EDITOR% $*

2
installation/mods_MarcMentat/2010/Mentat_bin/submit1
View File

@ -149,7 +149,7 @@ rm -f $job.log
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_h_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
"${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode > /dev/null 2>&1

2
installation/mods_MarcMentat/2010/Mentat_bin/submit2
View File

@ -149,7 +149,7 @@ rm -f $job.log
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
"${DIR}/tools/run_h_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode > /dev/null 2>&1

2
installation/mods_MarcMentat/2011/Marc_tools/comp_user_mp
View File

@ -16,7 +16,7 @@ DIRJOB=$2
cd $DIRJOB
echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
$FORTHIGHMP $user || \
$FORTRANMP $user || \
{
echo "$0: compile failed for $user"
exit 1

22
installation/mods_MarcMentat/2011/Marc_tools/include_linux64
View File

@ -321,13 +321,13 @@ then
fi
if test "$MARC_INTEGER_SIZE" = "i4" ; then
I8FFLAGS=
I8DEFINES=
I8FFLAGS="-real-size 64 -integer-size 32"
I8DEFINES="-DFLOAT=8 -DINT=4"
I8CDEFINES=
I8CASIDEFS=
else
I8FFLAGS="-i8"
I8DEFINES="-DI64"
I8FFLAGS="-i8 -real-size 64 -integer-size 64"
I8DEFINES="-DI64 -DFLOAT=8 -DINT=8"
I8CDEFINES="-U_DOUBLE -D_SINGLE"
I8CASIDEFS="-DCASI_64BIT_INT=1"
fi
@ -392,9 +392,12 @@ FORTLOW="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRAN="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGH="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
FORTRANMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-openmp -openmp_report2 \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGHMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
FORTHIGH="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGHMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
-openmp -openmp_report2 \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTNA="$FCOMP -c -assume byterecl -safe_cray_ptr -save -fpp -zero -mp1 -WB -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
@ -406,11 +409,14 @@ then
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRAN="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRANMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-openmp -openmp_report2 \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGH="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGHMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-openmp -openmp_report2 \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
-openmp -openmp_report2 \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTNA="$FCOMP -c -assume byterecl -safe_cray_ptr -save -fpp -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/bcssolver/common -I$MARC_SOURCE/mumpssolver/include $I8FFLAGS -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
fi

12
installation/mods_MarcMentat/2011/Marc_tools/run_mp_marc
View File

@ -2803,14 +2803,14 @@ then
then
if test $MACHINENAME = "CRAY"
then
$FORTHIGHMP $user || \
$FORTRANMP $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
$FORTHIGHMP $user -o $userobj || \
$FORTRANMP $user -o $userobj || \
{
echo "$0: compile failed for $user"
exit 1
@ -3093,7 +3093,7 @@ then
userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
$FORTHIGHMP $user || \
$FORTRANMP $user || \
{
echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
@ -3101,7 +3101,7 @@ then
}
/bin/rm $program 2>/dev/null
else
$FORTHIGHMP $user -o $userobj || \
$FORTRANMP $user -o $userobj || \
{
echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
@ -3386,14 +3386,14 @@ then
userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
$FORTHIGHMP $user || \
$FORTRANMP $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
$FORTHIGHMP $user -o $userobj || \
$FORTRANMP $user -o $userobj || \
{
echo "$0: compile failed for $user"
exit 1

2
installation/mods_MarcMentat/2011/Mentat_bin/edit_window
View File

@ -9,4 +9,4 @@ else
fi
# $dir/xterm -T "vi $*" -n "vi $*" -e vi $*
kwrite $*
%EDITOR% $*

2
installation/mods_MarcMentat/2011/Mentat_bin/submit1
View File

@ -149,7 +149,7 @@ rm -f $job.log
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_h_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
"${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode > /dev/null 2>&1

2
installation/mods_MarcMentat/2011/Mentat_bin/submit2
View File

@ -149,7 +149,7 @@ rm -f $job.log
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
"${DIR}/tools/run_h_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode > /dev/null 2>&1

2
installation/mods_MarcMentat/2012/Marc_tools/comp_user_mp
View File

@ -16,7 +16,7 @@ DIRJOB=$2
cd $DIRJOB
echo "Compiling and linking user subroutine $user on host `hostname`"
echo "program: $program"
$FORTHIGHMP $user || \
$FORTRANMP $user || \
{
echo "$0: compile failed for $user"
exit 1

24
installation/mods_MarcMentat/2012/Marc_tools/include_linux64
View File

@ -315,13 +315,13 @@ then
fi
if test "$MARC_INTEGER_SIZE" = "i4" ; then
I8FFLAGS=
I8DEFINES=
I8FFLAGS="-real-size 64 -integer-size 32"
I8DEFINES="-DFLOAT=8 -DINT=4"
I8CDEFINES=
I8CASIDEFS=
else
I8FFLAGS="-i8"
I8DEFINES="-DI64"
I8FFLAGS="-i8 -real-size 64 -integer-size 64"
I8DEFINES="-DI64 -DFLOAT=8 -DINT=8"
I8CDEFINES="-U_DOUBLE -D_SINGLE"
I8CASIDEFS="-DCASI_64BIT_INT=1"
fi
@ -386,11 +386,14 @@ FORTLOW="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRAN="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGH="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
FORTRANMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
-openmp -openmp_report2 \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGH="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGHMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
-openmp -openmp_report2 \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGHMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
-openmp -openmp_report2 \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTNA="$FCOMP -c -assume byterecl -safe_cray_ptr -save -fpp -zero -mp1 -WB -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
@ -400,10 +403,13 @@ then
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRAN="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTRANMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
-openmp -openmp_report2 \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGH="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTHIGHMP="$FCOMP -c -assume byterecl -safe_cray_ptr $PROFILE -save -fpp -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-openmp -openmp_report2 \
-openmp -openmp_report2 \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS"
FORTNA="$FCOMP -c -assume byterecl -safe_cray_ptr -save -fpp -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"

12
installation/mods_MarcMentat/2012/Marc_tools/run_mp_marc
View File

@ -2865,14 +2865,14 @@ then
then
if test $MACHINENAME = "CRAY"
then
$FORTHIGHMP $user || \
$FORTRANMP $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
$FORTHIGHMP $user -o $userobj || \
$FORTRANMP $user -o $userobj || \
{
echo "$0: compile failed for $user"
exit 1
@ -3156,7 +3156,7 @@ then
userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
$FORTHIGHMP $user || \
$FORTRANMP $user || \
{
echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
@ -3164,7 +3164,7 @@ then
}
/bin/rm $program 2>/dev/null
else
$FORTHIGHMP $user -o $userobj || \
$FORTRANMP $user -o $userobj || \
{
echo "$0: compile failed for $user"
echo " $PRODUCT Exit number 3"
@ -3450,14 +3450,14 @@ then
userobj=$usernoext.o
if test $MACHINENAME = "CRAY"
then
$FORTHIGHMP $user || \
$FORTRANMP $user || \
{
echo "$0: compile failed for $user"
exit 1
}
/bin/rm $program 2>/dev/null
else
$FORTHIGHMP $user -o $userobj || \
$FORTRANMP $user -o $userobj || \
{
echo "$0: compile failed for $user"
exit 1

2
installation/mods_MarcMentat/2012/Mentat_bin/edit_window
View File

@ -9,4 +9,4 @@ else
fi
# $dir/xterm -T "vi $*" -n "vi $*" -e vi $*
kwrite $*
%EDITOR% $*

2
installation/mods_MarcMentat/2012/Mentat_bin/submit1
View File

@ -156,7 +156,7 @@ rm -f $job.log
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_h_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
"${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode $gpu > /dev/null 2>&1

2
installation/mods_MarcMentat/2012/Mentat_bin/submit2
View File

@ -156,7 +156,7 @@ rm -f $job.log
unset PYTHONHOME
unset PYTHONPATH
"${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
"${DIR}/tools/run_h_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
$srcfile $restart $postfile $viewfactorsfile $hostfile \
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
$nthread $nsolver $mode $gpu > /dev/null 2>&1

36
installation/mods_MarcMentat/apply_DAMASK_modifications
View File

@ -29,16 +29,14 @@ INSTALLDIR=${INSTALLDIR%/} # remove trailing slash
echo "MSC installation path: $INSTALLDIR"
BLASDIR=''
FFTWDIR=''
BLASTYPE=''
if [ -f $WORKINGDIR/../../lib/pathinfo ]; then
IKMLDIR=`grep -vE "^[[:space:]]*#|^$" $WORKINGDIR/../../lib/pathinfo | grep -i ikml | head -n1 | awk 'BEGIN { FS = "[ \t]+" } ; { print $2 }'`
IMKLDIR=`grep -vE "^[[:space:]]*#|^$" $WORKINGDIR/../../lib/pathinfo | grep -i imkl | head -n1 | awk 'BEGIN { FS = "[ \t]+" } ; { print $2 }'`
ACMLDIR=`grep -vE "^[[:space:]]*#|^$" $WORKINGDIR/../../lib/pathinfo | grep -i acml | head -n1 | awk 'BEGIN { FS = "[ \t]+" } ; { print $2 }'`
LAPACKDIR=`grep -vE "^[[:space:]]*#|^$" $WORKINGDIR/../../lib/pathinfo | grep -i lapack | head -n1 | awk 'BEGIN { FS = "[ \t]+" } ; { print $2 }'`
FFTWDIR=`grep -vE "^[[:space:]]*#|^$" $WORKINGDIR/../../lib/pathinfo | grep -i fftw | head -n1 | awk 'BEGIN { FS = "[ \t]+" } ; { print $2 }'`
if [ -d "$IKMLDIR" ]; then
BLASDIR=$IKMLDIR
BLASTYPE='IKML'
if [ -d "$IMKLDIR" ]; then
BLASDIR=$IMKLDIR
BLASTYPE='IMKL'
elif [ -d "$ACMLDIR" ]; then
BLASDIR=$ACMLDIR
BLASTYPE='ACML'
@ -52,20 +50,14 @@ while [ ! -d "$BLASDIR" ] || [ -z "$BLASDIR" ]
do
echo "Input path of BLAS installation:"
read BLASDIR
echo "Input type of BLAS installation [IKML | ACML | LAPACK]:"
echo "Input type of BLAS installation [IMKL | ACML | LAPACK]:"
read BLASTYPE
done
if [ ! -d "$FFTWDIR" ]; then
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)
IMKL | imkl)
BLAS=" -mkl"
;;
ACML | acml)
@ -75,12 +67,22 @@ case $BLASTYPE in
BLAS=" -L$BLASDIR/lib64 -L$BLASDIR/lib -llapack"
;;
*)
echo "error, BLAS type must be IKML, ACML, or LAPACK"
echo "error, BLAS type must be IMKL, ACML, or LAPACK"
exit
;;
esac
FFTW=" -L$FFTWDIR/lib -lfftw3"
DEFAULT_EDITOR='vi'
EDITOR=''
while [ -z "$EDITOR" ]
do
echo "Input command to invoke your preferred editor: [${DEFAULT_EDITOR}]"
read EDITOR
if [ -z "$EDITOR" ]; then
VERSION=${DEFAULT_EDITOR}
fi
done
echo "MSC version: $VERSION"
# tools
echo ''
@ -97,7 +99,6 @@ for filename in 'comp_user' \
echo $theDIR/$filename | xargs perl -pi -e "s:%INSTALLDIR%:${INSTALLDIR}: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
done
@ -112,6 +113,7 @@ for filename in 'edit_window' \
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:%VERSION%:${VERSION}:g"
echo $theDIR/$filename | xargs perl -pi -e "s:%EDITOR%:${EDITOR}:g"
echo $filename
done

21
installation/mods_MarcMentat/installation.txt
View File

@ -7,7 +7,7 @@ Usually you will need to be root for this to work!
This is for the Linux64 version of Marc/Mentat2010(.2)/11.
See Marc and Mentat Release Guide for List of Build and Supported Platforms!
The Intel Fortran compiler needs to be installed. The 2010 release of Marc/Mentat relies on Intel Fortran 10.1(_18)! The 2011 release of Marc/Mentat relies on Intel Fortran 12.0! Make sure that ifort (the compiler executable) is in the PATH and that LD_LIBRARY_PATH is set correctly, refer to the Intel installation guide for instructions on how to do this.
The Intel Fortran compiler needs to be installed. The 2010 release of Marc/Mentat relies on Intel Fortran 10.1(_18)! The 2011/2012 release of Marc/Mentat relies on Intel Fortran 12.0! Make sure that ifort (the compiler executable) is in the PATH and that LD_LIBRARY_PATH is set correctly, refer to the Intel installation guide for instructions on how to do this.
The AMD Core Math Library or an other BLAS implementation (currently IMKL and LAPACK are supported) needs to be installed!
Add acml path to LD_LIBRARY_PATH, to do so either use the script setup_shellrc.py in the installstion folder or for a systemwide setup edit /etc/csh.cshrc.local and/or /etc/bash.bashrc.local.
@ -15,12 +15,7 @@ Assuming ACML is installed in path ACMLDIR the path should read: /ACMLDIR/ifort6
for bash: LD_LIBRARY_PATH="/ACMLDIR/ifort64_mp/lib:${LD_LIBRARY_PATH}"; export LD_LIBRARY_PATH
for csh: setenv LD_LIBRARY_PATH /ACMLDIR/ifort64_mp/lib:${LD_LIBRARY_PATH}
FFTW needs to be installed. The code is tested with fftw3.3. To install it unpack the *tar.gz file and run:
./configure --enable-threads --enable-sse2 --enable-shared
make
make install
As the apply_DAMASK_modifications script has to fix the path for both the BLAS and for FFTW both need to be installed in a place that can be accessed by all users of the system. In addition you have to specify the respective locations in DAMASK_ROOT/lib/pathInfo.
As the apply_DAMASK_modifications script has to fix the path for the BLAS it needs to be installed in a place that can be accessed by all users of the system. In addition you have to specify the respective locations in DAMASK_ROOT/lib/pathInfo.
1) Install Marc, Mentat and Documentation as usual
Run the test example including subroutines to confirm that the installation of both Marc/Mentat and the Intel Fortran Compiler is ok!
@ -34,13 +29,13 @@ The structure of this directory should be (VERSION = 2010 or 2010.2 or 2011):
./installation.txt this text
./apply_MPIE_modifications script file to apply modifications to the installation
./VERSION/Marc_tools/comp_user.org original file from installation
./VERSION/Marc_tools/comp_user modified
./VERSION/Marc_tools/comp_user_h modified version using -O3 optimization
./VERSION/Marc_tools/comp_user_mp modified version using -O3 optimization and OpenMP
./VERSION/Marc_tools/comp_user modified version using -O1 optimization
./VERSION/Marc_tools/comp_user_h modified version using -O2 optimization
./VERSION/Marc_tools/comp_user_mp modified version using -O1 optimization and OpenMP
./VERSION/Marc_tools/run_marc.org original file from installation
./VERSION/Marc_tools/run_marc modified version
./VERSION/Marc_tools/run_h_marc modified version using -O3 optimization
./VERSION/Marc_tools/run_mp_marc modified version using -O3 optimization and OpenMP
./VERSION/Marc_tools/run_marc modified version using -O1 optimization
./VERSION/Marc_tools/run_h_marc modified version using -O2 optimization
./VERSION/Marc_tools/run_mp_marc modified version using -O1 optimization and OpenMP
./VERSION/Marc_tools/include_linux64.org original file from installation
./VERSION/Marc_tools/include_linux64 modified version
./VERSION/Mentat_bin/edit_window.org original file from installation