Dear All, Please note that from the original email I understood that the mpi fftw library was built. Therefore the issue has to be the values of the FFTW variables used in siteconfig, i.e. the links to the library location & name.
Miro, please provide the contents of WIEN2k_OPTIONS in the W2k installation directory. _____ 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 Mon, Sep 14, 2020, 07:09 Gavin Abo <gs...@crimson.ua.edu> wrote: > See that "./configure --enable-mpi" was used. > > > Of note, sometimes -gcc-sys is needed: > > > https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18664.html > <https://urldefense.com/v3/__https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18664.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!Dy8jIkUP_qBwvDwgT_4MdHNXg8ukxuyH9CTnmghbRPaOW070atOdEJBkNvEokml5jP4MsQ$> > > > On 9/13/2020 2:53 AM, Ilias Miroslav, doc. RNDr., PhD. wrote: > > Hello, > > to profit from parallelization, one has to install ELPA and the parallel > version fftw library. > > For fftw library I used ./configure --enable-mpi, but Wien2k installator > says "!!! WARNING: No MPI version of the FFTW library found!" But my > installed * fftw-3.3.8/lib contains *also libfftw3_mpi.a . > > Any clues what is wrong ? Maybe it would be better to have defined > environmental variables from ELPA, fftw ? > > Miro > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > > https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!Dy8jIkUP_qBwvDwgT_4MdHNXg8ukxuyH9CTnmghbRPaOW070atOdEJBkNvEokmkOiV1YIA$ > SEARCH the MAILING-LIST at: > https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!Dy8jIkUP_qBwvDwgT_4MdHNXg8ukxuyH9CTnmghbRPaOW070atOdEJBkNvEokmkl7Y9X2g$ >
_______________________________________________ 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