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Merged in migrateLatestELPA (pull request #585)
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migrate to latest elpa

Approved-by: Phani Motamarri
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dsambit committed Apr 21, 2024
2 parents 7f6f218 + 6f2510c commit 894f70e
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2 changes: 1 addition & 1 deletion CMakeLists.txt
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Expand Up @@ -548,7 +548,7 @@ ENDIF()
#
# ELPA. Pass path to -DCMAKE_PREFIX_PATH
#
find_package(ELPA 2022 REQUIRED)
find_package(ELPA 2024 REQUIRED)
MESSAGE(STATUS "Will Link With ELPA")
target_link_libraries(${TARGETLIB} PUBLIC ELPA::ELPA)

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2 changes: 1 addition & 1 deletion cmake/FindELPA.cmake
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Expand Up @@ -18,7 +18,7 @@ find_package(PkgConfig)
# elpa-2020.05.001.pc
set(PKG_CONFIG_USE_CMAKE_PREFIX_PATH TRUE)
foreach(pkg elpa_openmp elpa) # prioritize elpa_openmp
foreach(ver 2022.11.001)
foreach(ver 2024.03.001)
pkg_search_module(PC_ELPA ${pkg})
if(PC_ELPA_FOUND)
break()
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2 changes: 1 addition & 1 deletion doc/manual/installation.tex
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Expand Up @@ -59,7 +59,7 @@ \subsubsection{Instructions for dependencies: ALGLIB, Libxc, spglib, Libxml2, Sc
\item {\bf ScaLAPACK}: ScaLAPACK library is used by DFT-FE via ELPA for its parallel linear algebra routines involving dense matrices, as well being a dependency for ELPA. \textcolor{red}{\bf If Intel MKL math library is available, please skip this step, as the ScaLAPACK libraries therein can be used directly.} If Intel MKL math library is not available, Netlib ScaLAPACK \url{http://www.netlib.org/scalapack/} needs to be installed using the instructions below. Download the current release version (2.2.0) from \url{http://www.netlib.org/scalapack/#\_software}, and build a shared library (use \verb|BUILD_SHARED_LIBS=ON|, \verb|BUILD_STATIC_LIBS=OFF| and \verb|BUILD_TESTING=OFF|) installation of ScaLAPACK using cmake. We recommend using the ccmake gui interface for the installation. Further, use the appropriate compilers for \verb|CMAKE_C_COMPILER| and \verb|CMAKE_FORTRAN_COMPILER|, and also use \verb|-fPIC| flag for \verb|CMAKE_C_FLAGS| and \verb|-fPIC -fallow-argument-mismatch| for \verb|CMAKE_Fortran_FLAGS|. For best performance, ScaLAPACK must be linked to optimized BLAS-LAPACK libraries by using\\ \verb|USE_OPTIMIZED_LAPACK_BLAS=ON|, and providing external paths to BLAS-LAPACK libraries (MKL, OpenBlas, ESSL etc.) during the cmake configuration.
%Alternatively one can also use the python based installer~\url{http://www.netlib.org/scalapack/scalapack_installer.tgz} for Linux.

\item {\bf ELPA}: ELPA library is used by DFT-FE for its parallel linear algebra routines involving dense matrices. ELPA requires the ScaLAPACK library (see above) as a dependency. Download the latest version elpa-2022.11.001 from \url{https://elpa.mpcdf.mpg.de/software/} and follow the installation instructions in there. Example of ELPA installation on UMICH Greatlakes supercomputer with GNU compiler, Open MPI library, and Intel MKL math library:
\item {\bf ELPA}: ELPA library is used by DFT-FE for its parallel linear algebra routines involving dense matrices. ELPA requires the ScaLAPACK library (see above) as a dependency. Download the latest version elpa-2024.03.001 from \url{https://elpa.mpcdf.mpg.de/software/} and follow the installation instructions in there. Example of ELPA installation on UMICH Greatlakes supercomputer with GNU compiler, Open MPI library, and Intel MKL math library:
\begin{verbatim}
$ cd elpaDir
$ mkdir build
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2 changes: 1 addition & 1 deletion setupDevelopPetsc.sh
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Expand Up @@ -24,7 +24,7 @@ libxcDir="/home/vikramg/DFT-softwares-gcc/libxc/libxc-5.2.3/install_libxc5.2.3"
spglibDir="/home/vikramg/DFT-softwares-gcc/spglib/install"
xmlIncludeDir="/usr/include/libxml2"
xmlLibDir="/usr/lib64"
ELPA_PATH="/home/vikramg/DFT-softwares-gcc/elpa/install202211"
ELPA_PATH="/home/vikramg/DFT-softwares-gcc/elpa/install2024"


#Paths for optional external libraries
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