Thank you very much for the answer. If I well understand it the problem comes out from the size of the system, right? Because I have the same problem with a larger periodic system. I generally run these calculations on 64 cpus. Are they too few?
> Il giorno 13/ott/2014, alle ore 18:10, Paolo Giannozzi > <[email protected]> ha scritto: > > On Fri, 2014-10-10 at 12:13 +0200, Valentina Cantatore wrote: > > >> I'm trying to get used with gw calculations and I'm running test with >> a small, nonperiodic system > > not small enough for my PC. Anyway, with (much) smaller cutoffs and > cell, I don't get any (obvious) problem. > > P. > >> . According to the manual I need to run first of all a scf calculation >> followed by a pw4gww run. >> >> >> The pw4gww run stops early giving error: >> "Error in routine davcio (99): >> error while reading from file "../.._whole50"" >> >> >> Can you give me some hints about this problem? I attach my two inputs >> files. >> >> >> Thank you very much. >> >> >> Valentina Cantatore >> PostDoc@Università del Piemonte Orientale, Alessandria >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> 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 > <scf.out> > <gww.out> > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
