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fleur
fleur
Commits
c85f5ec4
Commit
c85f5ec4
authored
Jun 18, 2018
by
Daniel Wortmann
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Modified JURECA config script not to automatically load modules
parent
885df8b3
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17 deletions
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cmake/machines/JURECA.sh
cmake/machines/JURECA.sh
+38
-17
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cmake/machines/JURECA.sh
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c85f5ec4
if
module list 2>&1 |grep
-q
-i
CMake
then
if
module list 2>&1 |grep
-q
-i
intel
then
echo
"Intel toolchain used"
#check if all modules are loaded
module_list
=
`
module list 2>&1
`
error
=
0
if
!
echo
"
$module_list
"
|grep CMake
then
error
=
1
fi
if
!
echo
"
$module_list
"
|grep ELPA |
grep
hybrid
then
error
=
1
fi
if
!
echo
"
$module_list
"
|grep HDF5
then
error
=
1
fi
if
!
echo
"
$module_list
"
|grep xml2
then
error
=
1
fi
if
[[
"
$error
"
-gt
0
]]
then
echo
"Not all required modules are loaded"
echo
"You should do:"
#determine XML2 module
xml2
=
`
module
--show_hidden
spider libxml2 2>&1 |grep libxml2/|grep
-v
module |tail
-1
`
#determine ELPA module
elpa
=
`
module spider ELPA 2>&1 |grep hybrid
`
echo
echo
"ml intel-para CMake HDF5
$xml2
$elpa
"
echo
echo
"It might be a good idea to include that in your profile"
exit
fi
export
FC
=
${
FC
:
=mpif90
}
export
CC
=
${
CC
:
=mpicc
}
#determine XML2 module
xml2
=
`
module
--show_hidden
spider libxml2 2>&1 |grep libxml2/|grep
-v
module |tail
-1
`
module load
$xml2
#determine ELPA module
elpa
=
`
module spider ELPA 2>&1 |grep hybrid
`
module load
$elpa
#ELPA
CLI_ELPA_OPENMP
=
1
FLEUR_LIBDIR
=
"
$FLEUR_LIB
$ELPA_LIB
"
FLEUR_INCLUDEDIR
=
"
$FLEUR_INCLUDEDIR
$ELPA_MODULES_OPENMP
"
#load hdf5 module
module load HDF5
#hdf5
FLEUR_LIBDIR
=
"
$FLEUR_LIBDIR
$HDF5_DIR
/lib"
FLEUR_INCLUDEDIR
=
"
$FLEUR_INCLUDEDIR
$HDF5_DIR
/include"
FLEUR_LIBRARIES
=
"-lelpa_openmp;-lmkl_scalapack_lp64;-lmkl_blacs_intelmpi_lp64"
ml
elif
module list 2>&1 |grep
-q
PGI
then
echo
"PGI toolchain used"
...
...
@@ -35,8 +61,3 @@ else
echo
"e.g. module load intel-para"
exit
fi
else
echo
"You should load the CMake module and the modules for the compiler"
echo
"e.g. do a 'ml intel-para CMake'"
exit
fi
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