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fangohr / octopus-in-spack

Develop Octopus in spack (software packaging)
BSD 3-Clause "New" or "Revised" License
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Support Intel libraries for fftw Blas scalapack #113

Open iamashwin99 opened 1 month ago

iamashwin99 commented 1 month ago

Intel mkl based libraries for fftw Blas and scalapack are not tested. See https://github.com/spack/spack/issues/44904

lang-m commented 1 month ago

In the report in the issue there is the line

^intel-oneapi-mkl@2024.0.0%gcc@10.3.1~cluster+envmods~gfortran~ilp64+shared build_system=generic mpi_family=none threads=none arch=linux-rhel8-broadwell

i.e. mkl is compiled without gfortran support but Octopus is compiled with gfortran. That could be the problem?

I think Spack allows us to set required variants for intel-oneapi-mkl in case it is selected as provider for blas/lapack.