On Wed, 2009-03-25 at 03:19 +0100, merlin meheut wrote: > Dear PWSCF users, > > I am trying calculating a big structure (72 atoms) with quantum > espresso 4.0.4. With qe 3.0, I had no particular problem, but with qe > 4.0.4 I have this error message: > > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > from davcio : error # 99 > error while writing to file > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > stopping ...
> This is strange because it happened twice at the same point, > approximately half-way to the end of the calculation. > > It may be related to different problems, such as hardware, but I will > be happy if you have any hints to make myself a more precise idea of > the problem. i'd first check if you have enough free disk space on the device that you are writing to and sufficient quota, in case your installation uses quotas. axel. > In particular, the qe 3.0 is probably in a place more easily > accessible on the file system, so it may be related to that. > > Many thanks, > > Merlin > > > -- > Merlin M?heut > professional adress: > 595 Charles Young Drive East > 3806 Geology Building > Los Angeles, California 90095-1597 > United States of America > tel: 310 825 7934 > cell phone: 310 893 4253 > > ---------------------------------------------------------------- > This message was sent using IMP, the Internet Messaging Program. > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- ======================================================================= Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
