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. -------------- next part -------------- A non-text attachment was scrubbed... Name: prova.tar.gz Type: application/x-gzip Size: 71710 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20100307/01857649/attachment-0001.bin -------------- next part -------------- --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
