Dear Paolo, thanks for your answer! I will see what I can do by changing something in the routine.
All the best, Katalin On Wed, 14 Nov 2007, Paolo Giannozzi wrote: > > 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 > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
