Dear Andreas,
Did you run any explicit solvent simulations with this machine? I am going
to place an order from DELL to buy 2 Dual Core machines (2 machines),
after Ross's comment on Dual Quad Core machines, but from your
comments, it gives almost an 8-fold speed increase. Thanks.
On Mon, 13 Aug 2007, Andreas Svrcek-Seiler wrote:
> Hi all,
> I've just gotten my hands on 2 dual quad core machine with 2.33GHz Xeons.
> With NAB and openmp-parallelization, I get a nearly 8-fold speed increase
> for implicit solvent (GB) runs and the big example (~18000 atoms)I just
> ran.
> For the "cox2" benchmark (100 timesteps, cut=18, rgbmax=17) I get
> 1 CPU 742s
> 2 CPU 375s
> 4 CPU 190s
> 8 CPU 97s
>
> So despite the architecture's weaknesses, 8 cores are about 7.6 times
> faster that one core. A quick test with two independent jobs on four cores
> each also showed that they don't seem to interfere with each other.
>
> ...just 2 cents more
>
> Andreas
>
>
>
>
>
> )))))
> (((((
> ( O O )
> -------oOOO--(_)--OOOo-----------------------------------------------------
> o Wolfgang Andreas Svrcek-Seiler
> o (godzilla)
> svrci.tbi.univie.ac.at
> .oooO Tel.:01-4277-52733
> ( ) Oooo.
> -------\ (----( )--------------------------------------------------------
> \_) ) /
> (_/
>
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
>
--
Ilyas Yildirim
---------------------------------------------------------------
- Department of Chemistry - -
- University of Rochester - -
- Hutchison Hall, # B10 - -
- Rochester, NY 14627-0216 - Ph.:(585) 275 67 66 (Office) -
- http://www.pas.rochester.edu/~yildirim/ -
---------------------------------------------------------------
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Aug 15 2007 - 06:07:32 PDT
