<div dir="auto"><div>Dear All,<div dir="auto"><br></div><div dir="auto">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.</div><div dir="auto"><br></div><div dir="auto">Miro, please provide the contents of WIEN2k_OPTIONS in the W2k installation directory.<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><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Sep 14, 2020, 07:09 Gavin Abo <<a href="mailto:gsabo@crimson.ua.edu" target="_blank" rel="noreferrer">gsabo@crimson.ua.edu</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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<p>See that "./configure --enable-mpi" was used.<br>
</p>
<p><br>
</p>
<p>Of note, sometimes -gcc-sys is needed:<br>
</p>
<p><br>
</p>
<p><a href="https://urldefense.com/v3/__https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18664.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!Dy8jIkUP_qBwvDwgT_4MdHNXg8ukxuyH9CTnmghbRPaOW070atOdEJBkNvEokml5jP4MsQ$" rel="noreferrer noreferrer" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18664.html</a><br>
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<p><br>
</p>
<div>On 9/13/2020 2:53 AM, Ilias Miroslav,
doc. RNDr., PhD. wrote:<br>
</div>
<blockquote type="cite">
<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>
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<blockquote type="cite"></blockquote>
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