Merge branch 'publicGithubDevelop' of https://bitbucket.org/dftfedevelopers/dftfe into lowerBoundWantedSpectrumFix

Author: dsambit

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)
 

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()

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

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