Hi Dimpy, This sounds like an error message that I have gotten when I switched the number of processors between the scf and nscf calculations without setting wfcollect=.true. in the scf calculation's input file.
Luke Shulenburger Geophysical Laboratory Carnegie Institution of Washington On Wed, Feb 10, 2010 at 4:14 AM, Dimpy Sharma <dimpy.sharma at tyndall.ie>wrote: > > Hi there, > My scf calculation runs sucessfully hwoever the calculation is crashing if > I perform the nscf calculation.Only changes I have made is I have taken 15 k > points in my nscf calculation.The error message shows as follows : > > task # 15 > from pzpotrf : error # 30 > problems computing cholesky decomposition > > Suggestions welcome! > Dimpy > > UCC > Ireland > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100210/63e5547e/attachment.htm
