<div dir="auto">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.<br><br><div data-smartmail="gmail_signature">---<br>Prof Laurence Marks<br>"Research is to see what everyone else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi<br><a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, Sep 13, 2020, 08:02 Laurence Marks <<a href="mailto:laurence.marks@gmail.com">laurence.marks@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="auto">First, there are 3 parallel modes: K-points, omp & mpi which can be combined. <div dir="auto"><br></div><div dir="auto">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.</div><div dir="auto"><br></div><div dir="auto">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.</div><div dir="auto"><br><div data-smartmail="gmail_signature" dir="auto">_____<br>Professor Laurence Marks<br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi<br><a href="http://www.numis.northwestern.edu" target="_blank" rel="noreferrer">www.numis.northwestern.edu</a></div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, Sep 13, 2020, 03:53 Ilias Miroslav, doc. RNDr., PhD. <<a href="mailto:miroslav.ilias@umb.sk" target="_blank" rel="noreferrer">miroslav.ilias@umb.sk</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div dir="ltr">
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
Hello,</div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<br>
</div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
to profit from parallelization, one has to install ELPA and the parallel version fftw library.</div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<br>
</div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
For fftw library I used ./configure --enable-mpi, but Wien2k installator says "!!! WARNING: No MPI version of the FFTW library found!" But my installed <b> fftw-3.3.8/lib contains </b><span style="color:rgb(0,0,0);font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt">also </span><span style="color:rgb(0,0,0);font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt">libfftw3_mpi.a
.</span></div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<br>
</div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
Any clues what is wrong ? <span style="color:rgb(0,0,0);font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt">Maybe it would be better to have defined environmental variables from ELPA, fftw ?</span></div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<span style="color:rgb(0,0,0);font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt"><br>
</span></div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<span style="color:rgb(0,0,0);font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt">Miro</span></div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<br>
</div>
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0)">
<br>
</div>
<div id="m_-3241998856352074265m_-8921835714617397879Signature">
<div>
<div name="divtagdefaultwrapper">
<div><font size="2"><span style="font-size:10pt"></span></font></div>
</div>
</div>
</div>
</div>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" rel="noreferrer noreferrer" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!CvmULLr0k9MyEjMf55nyQOmkV7gez0GDmf2aEw109pREGq9I0CEu7TLyIboogTiQqc8bdw$" rel="noreferrer noreferrer noreferrer" target="_blank">https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!CvmULLr0k9MyEjMf55nyQOmkV7gez0GDmf2aEw109pREGq9I0CEu7TLyIboogTiQqc8bdw$</a> <br>
SEARCH the MAILING-LIST at: <a href="https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!CvmULLr0k9MyEjMf55nyQOmkV7gez0GDmf2aEw109pREGq9I0CEu7TLyIboogTjwi2MggQ$" rel="noreferrer noreferrer noreferrer" target="_blank">https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!CvmULLr0k9MyEjMf55nyQOmkV7gez0GDmf2aEw109pREGq9I0CEu7TLyIboogTjwi2MggQ$</a> <br>
</blockquote></div>
</blockquote></div>