On Fri, Jul 29, 2016 at 4:12 PM, wexlek <[email protected]> wrote: > I have a problem running md calculations, the code failed in the > beginning of the run giving me the error message: > > Error in routine seqopn (16): > error opening ./WS2.igk > > I understand that this means that it could not read the wavefunction,
no, it means it cannot open the file containing k+G indices. This file is not read from previous run, it is re-written. It is impossible to say why this happens without knowing what you did exactly with which version of the code (and which code: the Car-Parrinello code cp.x and the SCF code pw.x follow rather different "restart" philosophies) Paolo > but just re-running the code brings up the same failure message. How do > I restart the code while preserving the velocities and other information > from the last fully completed run? > > Thanks for any help. > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
