First, there are 3 parallel modes: K-points, omp & mpi which can be combined.
Second, mpi requires scalapack, often via mkl. Elpa is better than the scalapack codes. It is not required for mpi. Fftw is useful but less important. Lastly, while the siteconfig tools tries to find your fftw etc it is not perfect and the user has to check. Obviously it has failed in your case and the correct search path has not been used. Try again, and be careful. _____ Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi www.numis.northwestern.edu On Sun, Sep 13, 2020, 03:53 Ilias Miroslav, doc. RNDr., PhD. < [email protected]> wrote: > Hello, > > to profit from parallelization, one has to install ELPA and the parallel > version fftw library. > > For fftw library I used ./configure --enable-mpi, but Wien2k installator > says "!!! WARNING: No MPI version of the FFTW library found!" But my > installed * fftw-3.3.8/lib contains *also libfftw3_mpi.a . > > Any clues what is wrong ? Maybe it would be better to have defined > environmental variables from ELPA, fftw ? > > Miro > > > _______________________________________________ > Wien mailing list > [email protected] > > https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!CvmULLr0k9MyEjMf55nyQOmkV7gez0GDmf2aEw109pREGq9I0CEu7TLyIboogTiQqc8bdw$ > SEARCH the MAILING-LIST at: > https://urldefense.com/v3/__http://www.mail-archive.com/[email protected]/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!CvmULLr0k9MyEjMf55nyQOmkV7gez0GDmf2aEw109pREGq9I0CEu7TLyIboogTjwi2MggQ$ >
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