<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">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">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">sjalali@phys.ui.ac.ir</a> <mailto:<a href="mailto:sjalali@phys.ui.ac.ir">sjalali@phys.ui.ac.ir</a>><br>
> :<a href="mailto:sjalali@sci.ui.ac.ir">sjalali@sci.ui.ac.ir</a> <mailto:<a href="mailto:sjalali@sci.ui.ac.ir">sjalali@sci.ui.ac.ir</a>><br>
> :<a href="mailto:sjalali@mailaps.org">sjalali@mailaps.org</a> <mailto:<a href="mailto:sjalali@mailaps.org">sjalali@mailaps.org</a>><br>
> :<a href="mailto:saeid.jalali.asadabadi@gmail.com">saeid.jalali.asadabadi@gmail.com</a> <mailto:<a href="mailto:saeid.jalali.asadabadi@gmail.com">saeid.jalali.asadabadi@gmail.com</a>><br>
> :<a href="mailto:s_jalali_a@yahoo.com">s_jalali_a@yahoo.com</a> <mailto:<a href="mailto:s_jalali_a@yahoo.com">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">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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</blockquote></div>