<p>Correction/expansion: there have been bugs in the inteface routines provided in Intel mkl for fftw2, both sequential and mpi versions, and they contain copyright statements so patched versions cannot be distributed. Have you tested the interface for fftw3 in different mkl versions or only the latest?</p>
<p>---------------------------<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a> 1-847-491-3996<br>
"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>
Albert Szent-Gyorgi<br>
</p>
<div class="gmail_quote">On Jul 26, 2012 3:03 AM, "Laurence Marks" <<a href="mailto:L-marks@northwestern.edu">L-marks@northwestern.edu</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<p>The mkl interface/routines for mpi are fixed? There have been problems with earlier mkl versions.</p>
<p>---------------------------<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a> 1-847-491-3996<br>
"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>
Albert Szent-Gyorgi<br>
</p>
<div class="gmail_quote">On Jul 26, 2012 2:57 AM, "Peter Blaha" <<a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.tuwien.ac.at</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Or by putting the correct path and library-names into the R_LIBS field:<br>
<br>
-L/opt/local/fftw/lib/ -lfftw_mpi -lfftw<br>
<br>
---> -L/path-where-fftw3-is-installed -lfftw3_mpi -lfftw3<br>
<br>
PS: For best performance on Intel-systems in sequential mode, see the comment in<br>
the UG Chapter 11.1.1 about the mkl interface to fftw2xf (or fftw3xf)<br>
<br>
Am 25.07.2012 17:42, schrieb Saeid Jalali:<br>
> Hi Laurence,<br>
> Thank you for your prompt reply.<br>
> The problem is fixed by changing the -DFFTW3 to -DFFTW2!<br>
> How did you find that?<br>
><br>
> Sincerely yours,<br>
> S. Jalali<br>
> /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<br>
> Saeid Jalali Asadabadi,<br>
> Department of Physics, Faculty of Science,<br>
> University of Isfahan (UI), Hezar Gerib Avenue,<br>
> 81744 Isfahan, Iran.<br>
> Phones:<br>
> Dep. of Phys. :+98-0311-793 2435<br>
> Office :+98-0311-793 4776<br>
> Fax No. :+98-0311-793 4800<br>
> E-mail :<a href="mailto:sjalali@phys.ui.ac.ir" target="_blank">sjalali@phys.ui.ac.ir</a> <mailto:<a href="mailto:sjalali@phys.ui.ac.ir" target="_blank">sjalali@phys.ui.ac.ir</a>><br>
> :<a href="mailto:sjalali@sci.ui.ac.ir" target="_blank">sjalali@sci.ui.ac.ir</a> <mailto:<a href="mailto:sjalali@sci.ui.ac.ir" target="_blank">sjalali@sci.ui.ac.ir</a>><br>
> :<a href="mailto:sjalali@mailaps.org" target="_blank">sjalali@mailaps.org</a> <mailto:<a href="mailto:sjalali@mailaps.org" target="_blank">sjalali@mailaps.org</a>><br>
> :<a href="mailto:saeid.jalali.asadabadi@gmail.com" target="_blank">saeid.jalali.asadabadi@gmail.com</a> <mailto:<a href="mailto:saeid.jalali.asadabadi@gmail.com" target="_blank">saeid.jalali.asadabadi@gmail.com</a>><br>
> :<a href="mailto:s_jalali_a@yahoo.com" target="_blank">s_jalali_a@yahoo.com</a> <mailto:<a href="mailto:s_jalali_a@yahoo.com" target="_blank">s_jalali_a@yahoo.com</a>><br>
> Homepage :<a href="http://sci.ui.ac.ir/~sjalali" target="_blank">http://sci.ui.ac.ir/~sjalali</a> <<a href="http://sci.ui.ac.ir/%7Esjalali" target="_blank">http://sci.ui.ac.ir/%7Esjalali</a>><br>
> www :<a href="http://www.ui.ac.ir" target="_blank">http://www.ui.ac.ir</a> <<a href="http://www.ui.ac.ir/" target="_blank">http://www.ui.ac.ir/</a>><br>
> /_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<br>
<br>
--<br>
<br>
P.Blaha<br>
--------------------------------------------------------------------------<br>
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982<br>
Email: <a href="mailto:blaha@theochem.tuwien.ac.at" target="_blank">blaha@theochem.tuwien.ac.at</a> WWW: <a href="http://info.tuwien.ac.at/theochem/" target="_blank">http://info.tuwien.ac.at/theochem/</a><br>
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