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,<br><br>Patrick <br>University of Notre Dame<br><br><div class="gmail_quote">On Sun, Mar 7, 2010 at 6:19 AM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:giannozz@democritos.it">giannozz@democritos.it</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;">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>
---<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>
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<br></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>