Addendum: I think fftw_mpi is required for parallel. I have never had issues with it, although I don't agree with their compilation options. I suspect you made a minor mistake in your configuration.
--- Prof Laurence Marks "Research is to see what everyone else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi www.numis.northwestern.edu On Sun, Sep 13, 2020, 08:02 Laurence Marks <[email protected]> wrote: > 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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