<p>When you say "many atoms" what fo you mean? For larger problems you need more than one machine and have to use mpi.</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 Apr 13, 2012 6:30 AM, "Ramkumar Thapa" <<a href="mailto:r.k.thapa@gmail.com">r.k.thapa@gmail.com</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hellow Prof. Fetcher, Lawrence and Peter,<div>I have corei7 machine and tried to install wien2k 11.1 in it with centos 6 OS, and composerxe-2011.5.220 (ifort&mkl). SCF runs ok with simple system like TiC; but I when I run the scf with many atoms in the unit cell, it give error as : </div>
<div>SIGSEGV, segmentation fault occurred, libmkl_avx.so stop error.</div><div>During installation of wien2k code, no errors have occurred also.Pl. help me how to correctly run the scf.</div><div>Thanking you in advance.4</div>
<div>Prof.R.K.Thapa</div><div>Mizoram University</div><div>India</div>
<br>_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
<br></blockquote></div>