[Wien] compilation of Wien2k with GNU OpenMPI, but with MKL library ?

Ilias Miroslav, doc. RNDr., PhD. miroslav.ilias at umb.sk
Mon Jun 5 10:45:19 CEST 2023


Ad: https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg22466.html

Dear Professor Blaha,

thanks for your answer. So to get Wien2k compiled with intel compilers, one needs FFTW3 and ELPA compiled with Intel compilers.

Now the question is : if I use  OpenMPI with FFTW3 and ELPA libraries compiled with GNU compilers, will the MKL libraries - blas,lapack, plus  scalapack and blacs work, right  ?

Best, Miro
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