From 93a5a0be500c08fb7de6b315d6d6c1ccd239f85c Mon Sep 17 00:00:00 2001 From: Franz Roters Date: Tue, 13 Nov 2012 15:27:06 +0000 Subject: [PATCH] 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 --- .../2010.2/Marc_tools/comp_user_mp | 2 +- .../2010.2/Marc_tools/include_linux64 | 27 ++++++++------ .../2010.2/Marc_tools/run_mp_marc | 12 +++---- .../2010.2/Mentat_bin/edit_window | 2 +- .../mods_MarcMentat/2010.2/Mentat_bin/submit1 | 2 +- .../mods_MarcMentat/2010.2/Mentat_bin/submit2 | 2 +- .../2010/Marc_tools/comp_user_mp | 2 +- .../2010/Marc_tools/include_linux64 | 24 ++++++++----- .../2010/Marc_tools/run_mp_marc | 12 +++---- .../2010/Mentat_bin/edit_window | 2 +- .../mods_MarcMentat/2010/Mentat_bin/submit1 | 2 +- .../mods_MarcMentat/2010/Mentat_bin/submit2 | 2 +- .../2011/Marc_tools/comp_user_mp | 2 +- .../2011/Marc_tools/include_linux64 | 22 +++++++----- .../2011/Marc_tools/run_mp_marc | 12 +++---- .../2011/Mentat_bin/edit_window | 2 +- .../mods_MarcMentat/2011/Mentat_bin/submit1 | 2 +- .../mods_MarcMentat/2011/Mentat_bin/submit2 | 2 +- .../2012/Marc_tools/comp_user_mp | 2 +- .../2012/Marc_tools/include_linux64 | 24 ++++++++----- .../2012/Marc_tools/run_mp_marc | 12 +++---- .../2012/Mentat_bin/edit_window | 2 +- .../mods_MarcMentat/2012/Mentat_bin/submit1 | 2 +- .../mods_MarcMentat/2012/Mentat_bin/submit2 | 2 +- .../apply_DAMASK_modifications | 36 ++++++++++--------- installation/mods_MarcMentat/installation.txt | 21 +++++------ 26 files changed, 127 insertions(+), 107 deletions(-) diff --git a/installation/mods_MarcMentat/2010.2/Marc_tools/comp_user_mp b/installation/mods_MarcMentat/2010.2/Marc_tools/comp_user_mp index efafb7c36..75b4a8659 100644 --- a/installation/mods_MarcMentat/2010.2/Marc_tools/comp_user_mp +++ b/installation/mods_MarcMentat/2010.2/Marc_tools/comp_user_mp @@ -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 $user" exit 1 diff --git a/installation/mods_MarcMentat/2010.2/Marc_tools/include_linux64 b/installation/mods_MarcMentat/2010.2/Marc_tools/include_linux64 index 783c87ea4..c923ccc7b 100644 --- a/installation/mods_MarcMentat/2010.2/Marc_tools/include_linux64 +++ b/installation/mods_MarcMentat/2010.2/Marc_tools/include_linux64 @@ -325,13 +325,13 @@ then fi if test "$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 diff --git a/installation/mods_MarcMentat/2010.2/Marc_tools/run_mp_marc b/installation/mods_MarcMentat/2010.2/Marc_tools/run_mp_marc index 8eb6e2bc5..963b00a1a 100644 --- a/installation/mods_MarcMentat/2010.2/Marc_tools/run_mp_marc +++ b/installation/mods_MarcMentat/2010.2/Marc_tools/run_mp_marc @@ -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 diff --git a/installation/mods_MarcMentat/2010.2/Mentat_bin/edit_window b/installation/mods_MarcMentat/2010.2/Mentat_bin/edit_window index 1bc4f268f..afc8e2b39 100644 --- a/installation/mods_MarcMentat/2010.2/Mentat_bin/edit_window +++ b/installation/mods_MarcMentat/2010.2/Mentat_bin/edit_window @@ -9,4 +9,4 @@ else fi # $dir/xterm -T "vi $*" -n "vi $*" -e vi $* -kwrite $* \ No newline at end of file +%EDITOR% $* \ No newline at end of file diff --git a/installation/mods_MarcMentat/2010.2/Mentat_bin/submit1 b/installation/mods_MarcMentat/2010.2/Mentat_bin/submit1 index 015e41cb9..67523c842 100644 --- a/installation/mods_MarcMentat/2010.2/Mentat_bin/submit1 +++ b/installation/mods_MarcMentat/2010.2/Mentat_bin/submit1 @@ -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 diff --git a/installation/mods_MarcMentat/2010.2/Mentat_bin/submit2 b/installation/mods_MarcMentat/2010.2/Mentat_bin/submit2 index 67523c842..015e41cb9 100644 --- a/installation/mods_MarcMentat/2010.2/Mentat_bin/submit2 +++ b/installation/mods_MarcMentat/2010.2/Mentat_bin/submit2 @@ -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 diff --git a/installation/mods_MarcMentat/2010/Marc_tools/comp_user_mp b/installation/mods_MarcMentat/2010/Marc_tools/comp_user_mp index efafb7c36..75b4a8659 100644 --- a/installation/mods_MarcMentat/2010/Marc_tools/comp_user_mp +++ b/installation/mods_MarcMentat/2010/Marc_tools/comp_user_mp @@ -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 $user" exit 1 diff --git a/installation/mods_MarcMentat/2010/Marc_tools/include_linux64 b/installation/mods_MarcMentat/2010/Marc_tools/include_linux64 index e114ac9eb..0b8e462d6 100644 --- a/installation/mods_MarcMentat/2010/Marc_tools/include_linux64 +++ b/installation/mods_MarcMentat/2010/Marc_tools/include_linux64 @@ -296,13 +296,13 @@ then fi if test "$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" diff --git a/installation/mods_MarcMentat/2010/Marc_tools/run_mp_marc b/installation/mods_MarcMentat/2010/Marc_tools/run_mp_marc index 251027201..f686f6ff7 100644 --- a/installation/mods_MarcMentat/2010/Marc_tools/run_mp_marc +++ b/installation/mods_MarcMentat/2010/Marc_tools/run_mp_marc @@ -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 diff --git a/installation/mods_MarcMentat/2010/Mentat_bin/edit_window b/installation/mods_MarcMentat/2010/Mentat_bin/edit_window index 1bc4f268f..afc8e2b39 100644 --- a/installation/mods_MarcMentat/2010/Mentat_bin/edit_window +++ b/installation/mods_MarcMentat/2010/Mentat_bin/edit_window @@ -9,4 +9,4 @@ else fi # $dir/xterm -T "vi $*" -n "vi $*" -e vi $* -kwrite $* \ No newline at end of file +%EDITOR% $* \ No newline at end of file diff --git a/installation/mods_MarcMentat/2010/Mentat_bin/submit1 b/installation/mods_MarcMentat/2010/Mentat_bin/submit1 index 015e41cb9..67523c842 100644 --- a/installation/mods_MarcMentat/2010/Mentat_bin/submit1 +++ b/installation/mods_MarcMentat/2010/Mentat_bin/submit1 @@ -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 diff --git a/installation/mods_MarcMentat/2010/Mentat_bin/submit2 b/installation/mods_MarcMentat/2010/Mentat_bin/submit2 index 67523c842..015e41cb9 100644 --- a/installation/mods_MarcMentat/2010/Mentat_bin/submit2 +++ b/installation/mods_MarcMentat/2010/Mentat_bin/submit2 @@ -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 diff --git a/installation/mods_MarcMentat/2011/Marc_tools/comp_user_mp b/installation/mods_MarcMentat/2011/Marc_tools/comp_user_mp index efafb7c36..75b4a8659 100644 --- a/installation/mods_MarcMentat/2011/Marc_tools/comp_user_mp +++ b/installation/mods_MarcMentat/2011/Marc_tools/comp_user_mp @@ -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 $user" exit 1 diff --git a/installation/mods_MarcMentat/2011/Marc_tools/include_linux64 b/installation/mods_MarcMentat/2011/Marc_tools/include_linux64 index 48c7f57a4..4aa488eca 100644 --- a/installation/mods_MarcMentat/2011/Marc_tools/include_linux64 +++ b/installation/mods_MarcMentat/2011/Marc_tools/include_linux64 @@ -321,13 +321,13 @@ then fi if test "$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 diff --git a/installation/mods_MarcMentat/2011/Marc_tools/run_mp_marc b/installation/mods_MarcMentat/2011/Marc_tools/run_mp_marc index 468d770a4..5aec04a34 100644 --- a/installation/mods_MarcMentat/2011/Marc_tools/run_mp_marc +++ b/installation/mods_MarcMentat/2011/Marc_tools/run_mp_marc @@ -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 diff --git a/installation/mods_MarcMentat/2011/Mentat_bin/edit_window b/installation/mods_MarcMentat/2011/Mentat_bin/edit_window index 1bc4f268f..afc8e2b39 100644 --- a/installation/mods_MarcMentat/2011/Mentat_bin/edit_window +++ b/installation/mods_MarcMentat/2011/Mentat_bin/edit_window @@ -9,4 +9,4 @@ else fi # $dir/xterm -T "vi $*" -n "vi $*" -e vi $* -kwrite $* \ No newline at end of file +%EDITOR% $* \ No newline at end of file diff --git a/installation/mods_MarcMentat/2011/Mentat_bin/submit1 b/installation/mods_MarcMentat/2011/Mentat_bin/submit1 index 015e41cb9..67523c842 100644 --- a/installation/mods_MarcMentat/2011/Mentat_bin/submit1 +++ b/installation/mods_MarcMentat/2011/Mentat_bin/submit1 @@ -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 diff --git a/installation/mods_MarcMentat/2011/Mentat_bin/submit2 b/installation/mods_MarcMentat/2011/Mentat_bin/submit2 index 67523c842..015e41cb9 100644 --- a/installation/mods_MarcMentat/2011/Mentat_bin/submit2 +++ b/installation/mods_MarcMentat/2011/Mentat_bin/submit2 @@ -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 diff --git a/installation/mods_MarcMentat/2012/Marc_tools/comp_user_mp b/installation/mods_MarcMentat/2012/Marc_tools/comp_user_mp index efafb7c36..75b4a8659 100644 --- a/installation/mods_MarcMentat/2012/Marc_tools/comp_user_mp +++ b/installation/mods_MarcMentat/2012/Marc_tools/comp_user_mp @@ -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 $user" exit 1 diff --git a/installation/mods_MarcMentat/2012/Marc_tools/include_linux64 b/installation/mods_MarcMentat/2012/Marc_tools/include_linux64 index efe66431a..0628e9245 100644 --- a/installation/mods_MarcMentat/2012/Marc_tools/include_linux64 +++ b/installation/mods_MarcMentat/2012/Marc_tools/include_linux64 @@ -315,13 +315,13 @@ then fi if test "$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" diff --git a/installation/mods_MarcMentat/2012/Marc_tools/run_mp_marc b/installation/mods_MarcMentat/2012/Marc_tools/run_mp_marc index b4f747ef5..b5be3937e 100644 --- a/installation/mods_MarcMentat/2012/Marc_tools/run_mp_marc +++ b/installation/mods_MarcMentat/2012/Marc_tools/run_mp_marc @@ -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 diff --git a/installation/mods_MarcMentat/2012/Mentat_bin/edit_window b/installation/mods_MarcMentat/2012/Mentat_bin/edit_window index 1bc4f268f..afc8e2b39 100644 --- a/installation/mods_MarcMentat/2012/Mentat_bin/edit_window +++ b/installation/mods_MarcMentat/2012/Mentat_bin/edit_window @@ -9,4 +9,4 @@ else fi # $dir/xterm -T "vi $*" -n "vi $*" -e vi $* -kwrite $* \ No newline at end of file +%EDITOR% $* \ No newline at end of file diff --git a/installation/mods_MarcMentat/2012/Mentat_bin/submit1 b/installation/mods_MarcMentat/2012/Mentat_bin/submit1 index 4e814e309..542a94265 100644 --- a/installation/mods_MarcMentat/2012/Mentat_bin/submit1 +++ b/installation/mods_MarcMentat/2012/Mentat_bin/submit1 @@ -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 diff --git a/installation/mods_MarcMentat/2012/Mentat_bin/submit2 b/installation/mods_MarcMentat/2012/Mentat_bin/submit2 index 542a94265..4e814e309 100644 --- a/installation/mods_MarcMentat/2012/Mentat_bin/submit2 +++ b/installation/mods_MarcMentat/2012/Mentat_bin/submit2 @@ -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 $gpu > /dev/null 2>&1 diff --git a/installation/mods_MarcMentat/apply_DAMASK_modifications b/installation/mods_MarcMentat/apply_DAMASK_modifications index 5e5c47058..07b420829 100755 --- a/installation/mods_MarcMentat/apply_DAMASK_modifications +++ b/installation/mods_MarcMentat/apply_DAMASK_modifications @@ -29,16 +29,14 @@ INSTALLDIR=${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 $filename done diff --git a/installation/mods_MarcMentat/installation.txt b/installation/mods_MarcMentat/installation.txt index 79e2ccd45..af147113f 100644 --- a/installation/mods_MarcMentat/installation.txt +++ b/installation/mods_MarcMentat/installation.txt @@ -7,7 +7,7 @@ Usually you will need to be root for this to work! This is for the Linux64 version of Marc/Mentat2010(.2)/11. See Marc and Mentat Release Guide for List of Build and Supported Platforms! -The Intel Fortran compiler needs to be installed. The 2010 release of Marc/Mentat relies on Intel Fortran 10.1(_18)! The 2011 release of Marc/Mentat relies on Intel Fortran 12.0! Make sure that ifort (the compiler executable) is in the PATH and that LD_LIBRARY_PATH is set correctly, refer to the Intel installation guide for instructions on how to do this. +The Intel Fortran compiler needs to be installed. The 2010 release of Marc/Mentat relies on Intel Fortran 10.1(_18)! The 2011/2012 release of Marc/Mentat relies on Intel Fortran 12.0! Make sure that ifort (the compiler executable) is in the PATH and that LD_LIBRARY_PATH is set correctly, refer to the Intel installation guide for instructions on how to do this. The AMD Core Math Library or an other BLAS implementation (currently IMKL and LAPACK are supported) needs to be installed! Add acml path to LD_LIBRARY_PATH, to do so either use the script setup_shellrc.py in the installstion folder or for a systemwide setup edit /etc/csh.cshrc.local and/or /etc/bash.bashrc.local. @@ -15,12 +15,7 @@ Assuming ACML is installed in path ACMLDIR the path should read: /ACMLDIR/ifort6 for bash: LD_LIBRARY_PATH="/ACMLDIR/ifort64_mp/lib:${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