I don't think there has been any change in file format that make files from a previous version unreadable by the new version. Remember that running "bands" may overwrite wavefunctions from "scf"
Paolo On Fri, Jun 26, 2015 at 2:37 PM, Kirk <[email protected]> wrote: > Hello > > I am using QE 5.0.2 and QE 5.1.2 on NERSC (https://www.nersc.gov/). > > I do a calculation='scf' run with 5.0.2 and then also with 5.0.2 a > calculation='bands' run. All is well. > > Then I try to do the exact same calculation='bands' run with 5.1.2 using > the 5.0.2 "*.save" data. All is not well. I get lots of these: > > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > Error in routine diropn (10): > error opening ./P2.wfc109 > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > stopping ... > ***************************************************** > > Is this correct behavior? > > I searched the forum but found nothing re diropn. > > Best Regards > Kirk > > > > _______________________________________________ > 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
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