I believe it should be possible, at least the MKL link time advisor https://www.intel.com/content/www/us/en/developer/tools/oneapi/onemkl-link-line-advisor.html definitely allows to select GNU compiler and OpenMPI. But yeah, it might be more painful than going either fully Intel® oneAPI or GNU compilers+OpenBLAS+OpenMPI way.
Best regards Pavel On Mon, 2023-06-05 at 12:11 +0200, Peter Blaha wrote: > As far as I know, you cannot mix libraries compiled with ifort or > with GNU compilers. At least in previous times, the objects would > have one or 2 "_" in their reference and it would not fit together. > Maybe there are some options to fix this, but I do not know. > > My recommendations is therefore: choose either Intel or GNU > compilers. > > For Intel you have to compile FFTW3 and ELPA yourself (see also the > instructions in the UG, these are always only 3 commands and it is > not so difficult) and can use the mkl for the rest. > > For GNU you can use the Openblas and the corresponding Linux packages > (if they exist) or you compile yourself with GNU. I don't know (but > doubt) if you can link the mkl-blas,... with GNU, but you don't need > mkl, because openblas is (almost) as good as mkl and "GNU-scalapack" > comes with Linux. > > When using Intel, you can use either Intelmpi or Openmpi, but the > name of the mkl blacks-library is different for the 2 mpi versions. > > > Am 05.06.2023 um 10:45 schrieb Ilias Miroslav, doc. RNDr., PhD.: > > > > > 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 > > > > > > _______________________________________________ > > Wien mailing list > > Wien@zeus.theochem.tuwien.ac.at > > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > SEARCH the MAILING-LIST at: > > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html