[Wien] odd error in lapw1 -band

[Gerhard Fecher]

I experienced the same for some large cases in parallel calculations.

The error vanished after I deleted all files in the scratch directory but changing nothing else.

Interesting to note, it happens only once for a given system and then never again, so its hard to follow why.

Ciao
Gerhard
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Marzieh Haghighat [marzieh.haghighat at yahoo.com]
Gesendet: Donnerstag, 28. August 2008 16:00
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] odd error in lapw1 -band

Dear Wien Users,

 I try to plot band structure for a large case.
  I have scf whitout any error.  But Now in lapw1 -band I have the following error:
Cholesky Info = 8163
Seclr4 -PORTF(Scalapack/lapack) failed.
I used -it switch, but nothing changed. Would you please explain to me why I get this error and how I can solve it?

Thanks
 Haghighat