Paolo (and everyone else), 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.
Thanks again, Patrick University of Notre Dame On Sun, Mar 7, 2010 at 6:19 AM, Paolo Giannozzi <giannozz at democritos.it>wrote: > Patrick, > > there is nothing wrong in your data (or, more exactly, nothing > obviously wrong). In any event, nothing in your data can cause > an "error in davcio", apart from a bad value of "outdir". See here: > http://www.quantum-espresso.org/user_guide/node46.html > and here for parallel execution, in sec.3.3.1: > http://www.quantum-espresso.org/user_guide/node17.html . > > I run one of your data file and everything seems ok. You may want to > try to find optimal values of -npool and -ndiag to achieve maximum > speed, but this has nothing to do with your problem, which is related > uniquely to the place where you are trying to write files. > > P. > > > > > --- > Paolo Giannozzi, Dept of Physics, University of Udine > via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Patrick Holvey pholvey at nd.edu 442 Siegfried Hall Notre Dame, IN 46556 Cell: (865)-659-9908 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100307/b0743293/attachment.htm
