[gmx-users] Scaling on SGI Altix 3700 Bx2
T.A.Wassenaar at rug.nl
Wed Jun 29 11:52:29 CEST 2005
Sort of out of curiosity, but which triclinic box error
did it give (there are several)?
On Wed, 29 Jun 2005 10:32:25 +1000
"Dallas B. Warren" <Dallas.Warren at vcp.monash.edu.au>
> I have just run some scaling of one of my systems on the
>new APAC SGI
> Altix 3700 Bx2
> CPUs on a single image node.
>For a 330,000 atom system using PME:
> CPUs Scaling
> 1 100%
> 2 82%
> 4 66%
> 8 51%
> 16 31%
> 24 21%
> 32 20%
> Is there anything that can be done on the software side
>of things to get
> it to scale better? Other than not using PME and
>waiting for the new
> release which has rumours to have improved things here
> I attempted to use the sort and shuffle options to see
>if that would
> improve (found it did with cut-offs on another system
>but don't use the
> options as subsequent analysis is a pain) things, but it
> crashes with triclinic box errors.
> Catch ya,
> Dr. Dallas Warren
> Department of Pharmaceutical Biology and Pharmacology
> Victorian College of Pharmacy, Monash University
> 381 Royal Parade, Parkville VIC 3010
> dallas.warren at vcp.monash.edu.au
> +61 3 9903 9073
> When the only tool you own is a hammer, every problem
>begins to resemble
> a nail.
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