On Mon, 2020-09-14 at 06:08 -0600, Gavin Abo 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
Out of interest I went through the link and I don't see how the linker can find/use the FFTW libraries. The FFTW_LIBS and FFTW_PLIBS clearly specify to link with the dynamic libraries: FFTW_OPT : -DFFTW3 -I/home/username/fftw3/include FFTW_LIBS : -L/home/username/fftw3/lib -lfftw3 FFTW_PLIBS : -lfftw3_mpi however the directory with FFTW contains only the static libraries: /home/username/fftw3/lib: total 2108 drwxr-xr-x 3 username username 4096 May 27 22:57 cmake -rw-r--r-- 1 username username 1933432 May 27 22:57 libfftw3.a -rwxr-xr-x 1 username username 893 May 27 22:57 libfftw3.la -rw-r--r-- 1 username username 201232 May 27 22:57 libfftw3_mpi.a -rwxr-xr-x 1 username username 939 May 27 22:57 libfftw3_mpi.la drwxr-xr-x 2 username username 4096 May 27 22:57 pkgconfig IMO this could work only under two lucky circumstances: either one has another libfftw3.so and libfftw3_mpi.so somewhere in the system path or it in fact doesn't link with the FFTW libs in /home/username/fftw3/lib but with the FFTW-compatible interface inside the MKL > 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 > 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