On Nov 14, 2007, at 13:25 , Katalin Gaal-Nagy wrote: > once again a question about a crashed phonon job... > It happened to me as it happened to Marcel Mohr (30/10/2007), that a > phonon calculation crashed and the recover did not work ... well, > that's > the question. > > In my case the original calculation ended because of > from davcio : error # 99 > i/o error in davcio
it looks like the disk is full or, worse, faulty... > Do I have to restart the calculation from scratch or is there some > way to > recover it avoiding this error? Maybe it would be enough to restart > the > calculation of Representation 62 from scratch by deleting/editing some > files in the tmp_dir? the way restart is currently implemented makes it very hard to deal with a case like yours. First of all, files with information on the status of the calculation are unformatted; second, the overall logic is complicated and one is never sure what has been already done and what hasn't. Until the day somebody with enough good will and knowledge will need to restart long phonon runs in a reliable way, the phonon restart procedure will stay the way it is, i.e., adventurous. In my opinion, your best chance is to modify the routine PH/phq_recover.f90 so that the code restarts from the beginning of the current mode (the one where the code crashed). I vaguely remember that there was a potential problem with some pieces of the dynamical matrix (dyn0 and the like) but I don't remember exactly what it was. Paolo --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
