[Pw_forum] Problem in running nscf calculation at higher number of k points

Eyvaz Isaev eyvaz_isaev at yahoo.com
Thu Nov 12 19:01:53 CET 2009

Dear Dimpy,

--- On Thu, 11/12/09, Dimpy Sharma <dimpy.sharma at tyndall.ie> wrote: 
 > I need to calculate projected density of states and band
> structure for my system and thats why I have been running a
> nsf calculation with higher number of k points, but the
> problem is that my calculation crashes without giving me any
> error message. The nscf calculation runs successfully upto
> for  4 k points but if I increase it to 5 or higher
> number it crashes. I run my calculation in a very high
> memory of 80 nodes. Can anybody please give me any
> suggestion?
The info provided is quite scarce to tell more exactly why this happens.
Have you checked disk space? May be you have no free disk space.


Prof. Eyvaz Isaev, 
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden 
Condensed Matter Theory Group, Uppsala University, Sweden 
Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com


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