More specifically it stops at scalapack stage when : "-- Performing Test scalapack_has_blacs_gridinit - Failed"
The config routine finds scalapack but it fails in "SiestaCheckLinalg.cmake" routine. All the dependencies were installed according to the doc. So, I am not sure if I still missed something or if it is a bug ? Thanks, Boubacar On Wed, 5 Jun 2024 at 21:54, Boubacar Traore <bt.bouba...@gmail.com> wrote: > Hi, > > I am trying to compile siesta with cmake but I encounter issues with > scalapack linking. I notice that the compilation process has changed > compared to what I was used to. > > Here is my cmake build command: > > $ cmake -S. -B_build > -DCMAKE_INSTALL_PREFIX=/home/boubacart/SIESTA/siesta/bin > -DSIESTA_WITH_MPI=ON -DSIESTA_WITH_ELPA=ON -DSIESTA_WITH_LIBXC=ON > -DSCALAPACK_LIBRARY="-lscalapack-openmpi-devel" > > It fails at with a linking error as shown below: > =================================== > -- The Fortran compiler identification is GNU 4.8.5 > -- The C compiler identification is GNU 4.8.5 > -- Detecting Fortran compiler ABI info > -- Detecting Fortran compiler ABI info - done > -- Check for working Fortran compiler: /bin/f95 - skipped > -- Detecting C compiler ABI info > -- Detecting C compiler ABI info - done > -- Check for working C compiler: /bin/cc - skipped > -- Detecting C compile features > -- Detecting C compile features - done > -- Check use of deprecated variables > -- All Siesta variables/options are prefixed with SIESTA_, e.g. > SIESTA_WITH_MPI > -- Check use of deprecated variables - success > -- Using GNU compiler > -- Using toolchain: Config/cmake/toolchains/gnu.cmake > -- > No build type selected. SIESTA will default to 'Release'. > To override pass -DCMAKE_BUILD_TYPE=<type> in order to configure SIESTA. > Available options are: > * -DCMAKE_BUILD_TYPE=Release - For an optimized build with no assertions > or debug info. > * -DCMAKE_BUILD_TYPE=Debug - For an unoptimized build with assertions > and debug info. > * -DCMAKE_BUILD_TYPE=Check - For an unoptimized build with assertions > and debug info + code checks. > * -DCMAKE_BUILD_TYPE=RelWithDebInfo - For an optimized build with no > assertions but with debug info. > * -DCMAKE_BUILD_TYPE=MinSizeRel - For a build optimized for size instead > of speed. > > -- Flags for C-compiler (build type: Release): -O3 -march=native > -- Flags for Fortran-compiler (build type: Release): -O3 -march=native > -- Found PkgConfig: /bin/pkg-config (found version "0.27.1") > -- Checking Siesta version > -- SIESTA_VERSION: 5.1-MaX-28-gf3224d62e (err=3) > -- > WARNING: This is *not* an official SIESTA release. > WARNING: > WARNING: Unless you are trying a feature or fix that has not > WARNING: been released yet, we strongly recommend the use of > WARNING: official releases of SIESTA, which can be downloaded from > WARNING: > https://urldefense.com/v3/__https://gitlab.com/siesta-project/siesta/-/releases__;!!D9dNQwwGXtA!UYGP2tP5MBKEuEDYVd_AAXzvz0C3xJG_Brop7boUp6SK-HsSIaTpqmCq0R944FkAiIbjxG7ZlENeBCPQnN4$ > > > > -- Checking Siesta version - found development version > -- Parsing BLAS options > -- Locating BLAS library > -- Looking for Fortran sgemm > -- Looking for Fortran sgemm - not found > -- Performing Test CMAKE_HAVE_LIBC_PTHREAD > -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Failed > -- Looking for pthread_create in pthreads > -- Looking for pthread_create in pthreads - not found > -- Looking for pthread_create in pthread > -- Looking for pthread_create in pthread - found > -- Found Threads: TRUE > -- Looking for Fortran sgemm > -- Looking for Fortran sgemm - found > -- Found BLAS: /usr/lib64/libblas.so > -- Found CustomBlas: /usr/lib64/libblas.so > -- Locating BLAS library - found > -- BLAS library: /usr/lib64/libblas.so > -- BLAS link flags: > -- Parsing LAPACK options > -- Locating LAPACK library > -- Looking for Fortran cheev > -- Looking for Fortran cheev - not found > -- Looking for Fortran cheev > -- Looking for Fortran cheev - found > -- Found LAPACK: /usr/lib64/liblapack.so;/usr/lib64/libblas.so > -- Found CustomLapack: /usr/lib64/liblapack.so;/usr/lib64/libblas.so > -- Locating LAPACK library - found > -- LAPACK library: /usr/lib64/liblapack.so;/usr/lib64/libblas.so > -- LAPACK link flags: > -- Found MPI_C: /usr/lib64/openmpi/lib/libmpi.so (found version "3.0") > -- Found MPI_Fortran: /usr/lib64/openmpi/lib/libmpi_usempi.so (found > version "3.0") > -- Found MPI: TRUE (found version "3.0") found components: Fortran C > -- Parsing ScaLAPACK options > -- Locating ScaLAPACK library > -- Using user-defined variables > -- Found CustomScalapack: -lscalapack-openmpi-devel > -- Locating ScaLAPACK library - found > -- ScaLAPACK library: -lscalapack-openmpi-devel > -- ScaLAPACK link flags: > -- Checking that BLAS library works... > -- Performing Test blas_has_sgemm > -- Performing Test blas_has_sgemm - Success > -- Performing Test blas_cdotu_return_convention > -- Performing Test blas_cdotu_return_convention - Success > -- Checking that LAPACK library works... > -- Performing Test lapack_has_dsysv > -- Performing Test lapack_has_dsysv - Success > -- Checking that ScaLAPACK library works... > -- Performing Test scalapack_has_blacs_gridinit > -- Performing Test scalapack_has_blacs_gridinit - Failed > CMake Warning at Config/cmake/SiestaCheckLinalg.cmake:125 (message): > --------------------------------------------- > > ScaLAPACK library cannot link properly Please check the library linking > string found or used by CMake--------------------------------------------- > Call Stack (most recent call first): > CMakeLists.txt:189 (include) > > > CMake Error at Config/cmake/SiestaCheckLinalg.cmake:130 (message): > *** ScaLAPACK library does not link properly > Call Stack (most recent call first): > CMakeLists.txt:189 (include) > > > -- Configuring incomplete, errors occurred! > =================================== > > Can anyone help me solve this issue? I tried but I so far did not find a > solution. > > Thanks, > Boubacar > >
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