[Pw_forum] PW taskgroups and a large run on a BG/P

[David Farrell]

OK - I have been working with version 4.0.4 of pw that has been  
compiled with only the internal espresso libraries (just to check that  
it isn't an IBM library thing). The errors still appear.

I am trying my 'simple' periodic 1152 atom cell (a larger version of  
the one I sent you) on as few processors as I can, to see if that  
helps anything. The behavior at 128 and 512 was the same as 1024,  
dying in the cholesky decomposition routine.

Dave

On Feb 12, 2009, at 6:53 AM, Paolo Giannozzi wrote:

> On Feb 11, 2009, at 19:41 , David Farrell wrote:
>
>> Let me know if the attachment doesn't make it through
>
> it didn't to the mailing list (max attachment size 40kB), but
> I received it. Attached is what I got (for a scf calculation) on
> a cray xt5. Apart from the bogus values of planes printed in
> the output, everything else seems ok, including parallel
> subspace diagonalization (scalapack) on 121 processors.
>
> Paolo
>
> <test432.out.gz>
> ---
> Paolo Giannozzi, Democritos and University of Udine, Italy
>
>

David E. Farrell
Post-Doctoral Fellow
Department of Materials Science and Engineering
Northwestern University
email: d-farrell2 at northwestern.edu

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090212/cf1677a1/attachment.html>