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Hi<br>
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I have had that issue in the past (with the same fftw version) because MPI was not installed. I installed MPI and the warning did not show up anymore.
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Regards<br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> on behalf of Laurence Marks <laurence.marks@gmail.com><br>
<b>Sent:</b> Sunday, September 13, 2020 12:00 PM<br>
<b>To:</b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at><br>
<b>Subject:</b> Re: [Wien] parallel instalation of Wien2k: elpa, fftw</font>
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<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>
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<div>---<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>
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<div dir="ltr" class="x_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>
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<div dir="auto">First, there are 3 parallel modes: K-points, omp & mpi which can be combined.
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<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>
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<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>
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<div 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>
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<div dir="ltr" class="x_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>
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Hello,</div>
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to profit from parallelization, one has to install ELPA and the parallel version fftw library.</div>
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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>
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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>
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<span style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt"><br>
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<span style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">Miro</span></div>
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