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
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
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