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BLAS/LAPACK

Intel MKL

We recommend using the Intel MKL implementation of maths libraries. For this, you will need to load the intel-mkl module:

module load intel/oneapi mkl

And, depending on your application/compiler, export correct environment variables:

export CPATH=${MKLROOT}/include:$CPATH
export LIBRARY_PATH=${MKLROOT}/lib/intel64:$LIBRARY_PATH
export LD_LIBRARY_PATH=${MKLROOT}/lib/intel64:$LD_LIBRARY_PATH

After this, BLAS and LAPACK should be picked up from the Intel MKL implementation.

Note

The mkl module only contains maths libraries. If you are looking for Intel compilers, you should load the full intel/oneapi-all suite of Intel goodness:

module load intel/oneapi-all

If you are looking for FFTW, you should check out this guide.

OpenBLAS

The current software stack also includes the OpenBLAS implementation of BLAS and LAPACK, simply load openblas and link with -lopenblas to get both libraries.