ELPA

The ELPA library provides highly efficient and highly scalable direct eigensolvers for symmetric (hermitian) matrices.

CMake

ELPA is enabled with the following CMake option:

-DCP2K_USE_ELPA=ON

Pass -DCP2K_ENABLE_ELPA_OPENMP_SUPPORT=ON to CMake if ELPA was built with OpenMP support. Pass -DCP2K_ENABLE_ELPA_GPU=OFF to CMake if ELPA was not built with GPU support.