<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div>OK, I tried the Jan 12 2009 snapshot from the website with the BG/P scalapack, blacs, goto and lapack. Things compiled fine.</div><div><br></div><div>When I ran on 128 cores in vn mode with -ntg 4 -ndiag 121, I got a cholesky error:</div><div><br></div><div><div>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div> task # 103</div><div> from rdiaghg : error # 102</div><div> problems computing cholesky </div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div></div><div><br></div><div>When I ran on 128 cores in dual mode with -ntg 4 -ndiag 121, I got the cholesky error:</div><div><br></div><div><div>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div> task # 118</div><div> from rdiaghg : error # 102</div><div> problems computing cholesky </div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div><br></div><div><br></div><div>When I ran on 128 cores in smp mode with -ntg 4 -ndiag 121, it ran fine.</div><div><br></div><div><br></div><div>I am going to pull down the latest CVS version and see if that changes anything. It sounds like this shouldn't be a memory issue (and I don't get any memory errors in stderr), but I may have to see if I can reproduce this on a very small scale to see if it is something else. Something that according to the memory output should only use a couple hundred MB at most shouldn't require more than 1 GB to run. </div></div><div><br></div><div>Dave</div><br><div><div>On Feb 12, 2009, at 10:51 AM, Paolo Giannozzi wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>On Feb 12, 2009, at 16:18 , David Farrell wrote:<br><br><blockquote type="cite">OK - so perhaps I should try this same run with scalapack enabled <br></blockquote><blockquote type="cite">instead<br></blockquote><blockquote type="cite">just to be sure of what happens and that I haven't miscompiled <br></blockquote><blockquote type="cite">anything.<br></blockquote><blockquote type="cite">That is only available in the latest CVS versions right?<br></blockquote><br>right. You need option "-D__SCALAPACK" and to link to blacs and <br>scalapack<br><br>Paolo<br>---<br>Paolo Giannozzi, Democritos and University of Udine, Italy<br><br><br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>http://www.democritos.it/mailman/listinfo/pw_forum<br></div></blockquote></div><br><div apple-content-edited="true"> <span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Helvetica" size="3" style="font: normal normal normal 12px/normal Helvetica; font-size: 12px; ">David E. Farrell</font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; ">Post-Doctoral Fellow</span></font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font class="Apple-style-span" size="3"><span class="Apple-style-span" style="font-size: 12px; ">Department of Materials Science and Engineering</span></font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Helvetica" size="3" style="font: normal normal normal 12px/normal Helvetica; font-size: 12px; ">Northwestern University</font></div><div style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><font face="Helvetica" size="3" style="font: normal normal normal 12px/normal Helvetica; font-size: 12px; ">email: <a href="mailto:d-farrell2@northwestern.edu">d-farrell2@northwestern.edu</a></font></div></div></div></span> </div><br></body></html>