On Mon, 2014-01-13 at 10:50 +0800, ?? wrote: > can the newest SVN version of phcg handle the restart from multi > processor?
I hope so. The restart mechanism in phcg is a little bit rough, though: it saves intermediate results only at the end of each linear-response calculation, it doesn't allow to stop after a pre-determined time has elapsed > I'am playing with the phcg and Raman spectra. Interruption happened > after a really longtime waiting. It is terrible to restart from > scratch. if files "recover*" are still there, you should be able to restart from those. The problem was just when readin those files P. > Best regards > > Dr. Bo Zhou > > Northwest university, Xiaan, China > Tel: +86-029-88303492 > Post: 710069 > > > 2014/1/10 Paolo Giannozzi <paolo.giannozzi at uniud.it> > On Sat, 2014-01-04 at 09:56 -0800, weeliat wrote: > > > I am not sure if this error is due to my compilers or mpi > software > > (seems less probable as the initial run is ok) or is there > something > > with the restart function in phcg? > > > there is a mismatch between how the file needed to restart is > written > (by a single processor) and how it is read (it should be read > by a > single processor, its content broadcast to all other > processors, but > this is not what is happening now). I'll fix it in the svn > version this > evening > > P. > -- > Paolo Giannozzi, Dept. Chemistry&Physics&Environment, > Univ. 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://pwscf.org/mailman/listinfo/pw_forum > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
