I usually find this failure is because of disk problem. Maybe you can check your disk and recalculate from the beginning.
Otherwise, there must be problem in your input, which introduce failure in your calculations. jiayu > 在 2016年7月30日，18:00，[email protected] 写道： > > Send Pw_forum mailing list submissions to > [email protected] > > To subscribe or unsubscribe via the World Wide Web, visit > http://pwscf.org/mailman/listinfo/pw_forum > or, via email, send a message with subject or body 'help' to > [email protected] > > You can reach the person managing the list at > [email protected] > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Pw_forum digest..." > > > Today's Topics: > > 1. Molecular Dynamics Restart Failure (wexlek) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Fri, 29 Jul 2016 10:12:52 -0400 > From: wexlek <[email protected]> > Subject: [Pw_forum] Molecular Dynamics Restart Failure > To: [email protected] > Message-ID: <[email protected]> > Content-Type: text/plain; charset=UTF-8; format=flowed > > 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, > 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 > > End of Pw_forum Digest, Vol 108, Issue 30 > ***************************************** _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
