Commit 0d4060a3 authored by Daniel Wortmann's avatar Daniel Wortmann

Merge branch 'develop' of fleur-git:fleur into develop

parents 5053f7da 43105eb6
...@@ -7,7 +7,7 @@ if (${CMAKE_Fortran_COMPILER_ID} MATCHES "Intel") ...@@ -7,7 +7,7 @@ if (${CMAKE_Fortran_COMPILER_ID} MATCHES "Intel")
set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -mkl -r8 -qopenmp") set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -mkl -r8 -qopenmp")
endif() endif()
set(CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS_RELEASE} -xHost -O4") set(CMAKE_Fortran_FLAGS_RELEASE "${CMAKE_Fortran_FLAGS_RELEASE} -xHost -O4")
set(CMAKE_Fortran_FLAGS_DEBUG "${CMAKE_Fortran_FLAGS_DEBUG} -C -traceback -O0 -g") set(CMAKE_Fortran_FLAGS_DEBUG "${CMAKE_Fortran_FLAGS_DEBUG} -C -traceback -O0 -g -ftrapuv -check uninit ")
elseif(${CMAKE_Fortran_COMPILER_ID} MATCHES "PGI") elseif(${CMAKE_Fortran_COMPILER_ID} MATCHES "PGI")
message("PGI Fortran detected") message("PGI Fortran detected")
set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -mp -Mr8 -Mr8intrinsics -Mcuda:kepler+ -ta:tesla:cuda7.5 -DUSE_STREAMS -DNUM_STREAMS=${N_STREAMS} -Minfo=accel -acc") set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS} -mp -Mr8 -Mr8intrinsics -Mcuda:kepler+ -ta:tesla:cuda7.5 -DUSE_STREAMS -DNUM_STREAMS=${N_STREAMS} -Minfo=accel -acc")
......
...@@ -26,10 +26,10 @@ function configure_machine(){ ...@@ -26,10 +26,10 @@ function configure_machine(){
echo "All required modules load loaded" echo "All required modules load loaded"
else else
echo "You have to load the required modules" echo "You have to load the required modules"
echo "See and/or source $DIR/cmake/maschines/JURECA/intelsource.sh" echo "See and/or source $DIR/cmake/machines/JURECA/intelsource.sh"
exit exit
fi fi
cp $DIR/cmake/maschines/JURECA/JURECA.cmake config.cmake cp $DIR/cmake/machines/JURECA/JURECA.cmake config.cmake
elif module list 2>&1 |grep -q PGI elif module list 2>&1 |grep -q PGI
then then
echo "PGI toolchain used" echo "PGI toolchain used"
...@@ -41,14 +41,14 @@ function configure_machine(){ ...@@ -41,14 +41,14 @@ function configure_machine(){
echo "All required modules loaded, all variables set" echo "All required modules loaded, all variables set"
else else
echo "Not all modules are loaded" echo "Not all modules are loaded"
echo "See and/or source $DIR/cmake/maschines/JURECA/pgisource.sh" echo "See and/or source $DIR/cmake/machines/JURECA/pgisource.sh"
echo "And set the variables XML2_ROOT and MAGMA_ROOT" echo "And set the variables XML2_ROOT and MAGMA_ROOT"
exit exit
fi fi
cp $DIR/cmake/maschines/JURECA/JURECAGPU.cmake config.cmake cp $DIR/cmake/machines/JURECA/JURECAGPU.cmake config.cmake
else else
echo "You have to load the correct modules for compiling" echo "You have to load the correct modules for compiling"
echo " Look for files to source in $DIR/cmake/maschines/JURECA" echo " Look for files to source in $DIR/cmake/machines/JURECA"
exit exit
fi fi
# JUQUEEN # JUQUEEN
...@@ -64,13 +64,13 @@ function configure_machine(){ ...@@ -64,13 +64,13 @@ function configure_machine(){
echo "module load hdf5/1.8.15_BGQ scalapack/2.0.2_elpa_simd" echo "module load hdf5/1.8.15_BGQ scalapack/2.0.2_elpa_simd"
exit exit
fi fi
cp $DIR/cmake/maschines/JUQUEEN/JUQUEEN.cmake config.cmake cp $DIR/cmake/machines/JUQUEEN/JUQUEEN.cmake config.cmake
#IFF linux cluster #IFF linux cluster
elif [ "$machine" = "IFF" ] elif [ "$machine" = "IFF" ]
then then
echo "IFF cluster configuration used" echo "IFF cluster configuration used"
cp $DIR/cmake/maschines/IFF.cmake config.cmake cp $DIR/cmake/machines/IFF.cmake config.cmake
#RWTH cluster #RWTH cluster
elif [ "$machine" = "CLAIX" ] elif [ "$machine" = "CLAIX" ]
...@@ -81,7 +81,7 @@ function configure_machine(){ ...@@ -81,7 +81,7 @@ function configure_machine(){
echo "Please use intelmpi, e.g. do a module switch openmpi intelmpi" echo "Please use intelmpi, e.g. do a module switch openmpi intelmpi"
exit exit
fi fi
cp $DIR/cmake/maschines/CLAIX.cmake config.cmake cp $DIR/cmake/machines/CLAIX.cmake config.cmake
module load LIBRARIES module load LIBRARIES
elif [ "$machine" = "MARCONI" ] elif [ "$machine" = "MARCONI" ]
then then
...@@ -90,7 +90,7 @@ module load LIBRARIES ...@@ -90,7 +90,7 @@ module load LIBRARIES
echo "Load the modules needed to compile: intel,intelmpi,cmake" echo "Load the modules needed to compile: intel,intelmpi,cmake"
exit exit
fi fi
cp $DIR/cmake/maschines/MARCONI.cmake config.cmake cp $DIR/cmake/machines/MARCONI.cmake config.cmake
elif [ "$machine" = "AUTO" ] elif [ "$machine" = "AUTO" ]
then then
echo "No machine specific settings used" echo "No machine specific settings used"
......
ml purge
ml CMake GCC Python ParaStationMPI
ml OpenBLAS
export FC=mpif90
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