Install Lumen with external chase libraries: Difference between revisions
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Available since Lumen 2.1. | |||
You need an available Chase library compiled (eventually with gpu support). | You need an available Chase library compiled (eventually with gpu support). | ||
To get the chase library see here: https://github.com/ChASE-library/ChASE | To get the chase library see here: https://github.com/ChASE-library/ChASE | ||
Latest revision as of 12:28, 16 June 2026
Available since Lumen 2.1. You need an available Chase library compiled (eventually with gpu support). To get the chase library see here: https://github.com/ChASE-library/ChASE
For tests and discussion on the chase interface with lumen see here: https://gitlab.com/lumen-code/lumen/-/merge_requests/304
Compile chase with nvfortran
module load nvidia_profile
cmake \
-DCMAKE_CXX_COMPILER=nvc++ \
-DCMAKE_C_COMPILER=nvc \
-DCMAKE_Fortran_COMPILER=nvfortran \
-DCMAKE_BUILD_TYPE=RelWithDebInfo \
-DCMAKE_CXX_STANDARD_REQUIRED=ON \
-DCMAKE_CXX_STANDARD=17 \
-DCMAKE_CUDA_ARCHITECTURES=120 \
-DMPI_C_COMPILER=mpicc \
-DMPI_CXX_COMPILER=mpicxx \
-DMPI_Fortran_COMPILER=mpifort \
-DSCALAPACK_DIR=/opt/nvidia/hpc_sdk/Linux_x86_64/2025/comm_libs/13.0/hpcx/hpcx-2.25.1/ompi/lib -DSCALAPACK_VERBOSE=ON \
-DCMAKE_INSTALL_PREFIX="SET_PATH_HERE" \
../../
Compile chase with gfortran
module load gnu_profile
cmake \
-DCMAKE_CXX_COMPILER=mpicxx \
-DCMAKE_C_COMPILER=mpicc \
-DCMAKE_Fortran_COMPILER=mpif90 \
-DCMAKE_BUILD_TYPE=RelWithDebInfo \
-DMPI_C_COMPILER=mpicc \
-DMPI_CXX_COMPILER=mpicxx \
-DMPI_Fortran_COMPILER=mpif90 \
-DSCALAPACK_DIR=/opt/gcc/15.2.0/scalapack-2.2.2/ -DSCALAPACK_VERBOSE=ON \
-DCMAKE_INSTALL_PREFIX=/home/sangalli/data/local-libs/ChASE-github/gfortran15.2_openmpi5.0/install \
../../
Link chase
--enable-chase \
--with-chase-libdir="${CHASE_LIBS}/lib" \
--with-chase-includedir="${CHASE_LIBS}/include" \