Alright, so it's follow-up time. <br><br>After looking over which of the 25 runs finished (4 of them did), and moving them to a separate directory, I re-submitted the runs to the queue. This time, apparently 7 of them have decided to stick and do a run. No guarantees on them finishing, but it looks promising as the error typically evolves for me after the wavefunction collection (wfc) call in the output. So the question now becomes: if the input files are working properly when they decide to stick, what could be causing them to not stick? The outdir is the same for every input file, so I suppose it could be just too busy with the calls from all of the different runs. Has anyone else had issues with this? Moreover, is there a limit to how many runs I should direct to a specific outdir? Would it be better to assign a unique outdir for each run? Thanks! I appreciate all of the help.<br>
<br>Most Sincerely,<br><br>Patrick<br>University of Notre Dame<br><br><div class="gmail_quote">On Sun, Mar 7, 2010 at 4:29 PM, Patrick Holvey <span dir="ltr"><<a href="mailto:pholvey@gmail.com">pholvey@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Paolo (and everyone else),<br><br>Thanks for the quick reply. Just a few questions. If the error in davcio results solely from a bad outdir, why did the error resolve itself in my original input file when I changed the celldms to correspond with Linh's suggestions? Further, since the runs worked on 3 of the 25 submitted input files, doesn't that show that there is no error in writing to the destination? The only reason I ask is that I'm almost completely positive that I'm not running into disk limitations (although I will check for sure on monday), and if that's not the issue, then I need to hammer out what is really causing this.<br>
<br> Thanks again,<div class="im"><br><br>Patrick <br>University of Notre Dame<br><br></div><div class="gmail_quote"><div><div></div><div class="h5">On Sun, Mar 7, 2010 at 6:19 AM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:giannozz@democritos.it" target="_blank">giannozz@democritos.it</a>></span> wrote:<br>
</div></div><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div><div></div><div class="h5">Patrick,<br>
<br>
there is nothing wrong in your data (or, more exactly, nothing<br>
obviously wrong). In any event, nothing in your data can cause<br>
an "error in davcio", apart from a bad value of "outdir". See here:<br>
<a href="http://www.quantum-espresso.org/user_guide/node46.html" target="_blank">http://www.quantum-espresso.org/user_guide/node46.html</a><br>
and here for parallel execution, in sec.3.3.1:<br>
<a href="http://www.quantum-espresso.org/user_guide/node17.html" target="_blank">http://www.quantum-espresso.org/user_guide/node17.html</a> .<br>
<br>
I run one of your data file and everything seems ok. You may want to<br>
try to find optimal values of -npool and -ndiag to achieve maximum<br>
speed, but this has nothing to do with your problem, which is related<br>
uniquely to the place where you are trying to write files.<br><font color="#888888">
<br>
P.<br>
<br>
</font><br><br>
<br></div></div><div class="im">
---<br>
Paolo Giannozzi, Dept of Physics, University of Udine<br>
via delle Scienze 208, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
<br>
<br>
<br>
<br>_______________________________________________<br></div><div class="im">
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a><br>
<a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
<br></div></blockquote></div><div><div></div><div class="h5"><br><br clear="all"><br>-- <br>Patrick Holvey<br><a href="mailto:pholvey@nd.edu" target="_blank">pholvey@nd.edu</a><br>442 Siegfried Hall<br>Notre Dame, IN 46556<br>
Cell: (865)-659-9908<br>
</div></div></blockquote></div><br><br clear="all"><br>-- <br>Patrick Holvey<br><a href="mailto:pholvey@nd.edu">pholvey@nd.edu</a><br>442 Siegfried Hall<br>Notre Dame, IN 46556<br>Cell: (865)-659-9908<br>