diff --git a/CMakeLists.txt b/CMakeLists.txt index cf2e9ac09..36a99ae47 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -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) diff --git a/cmake/FindELPA.cmake b/cmake/FindELPA.cmake index f209ed672..6abc27b4a 100644 --- a/cmake/FindELPA.cmake +++ b/cmake/FindELPA.cmake @@ -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() diff --git a/doc/manual/installation.tex b/doc/manual/installation.tex index b84fc42fa..4c1fc0cbc 100644 --- a/doc/manual/installation.tex +++ b/doc/manual/installation.tex @@ -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 diff --git a/setupDevelopPetsc.sh b/setupDevelopPetsc.sh index 5c3c720bd..1da8bf1b5 100755 --- a/setupDevelopPetsc.sh +++ b/setupDevelopPetsc.sh @@ -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