[gmx-users] Performance

[Ran Friedman]

Dear Anton and Gromacs users,

I haven't performed full comparison, but running on 8 cpu is approximately 60% faster than running on 4 cpu.

Ran.

Anton Feenstra wrote:

> Ran Friedman wrote:
>
> > Hi,
>
> >
>
> > Rough data:
>
> >
>
> > 1ns simulation of ~22,000 atoms on 8cpu (R12000, 400MHZ) with the gromacs FF, with PME, time step 2fs, takes me 44-48 hours.
>
> a 22k atom system on 8 CPU's may scale badly. Did you happen to test scaling for
>
> your system, by comparing runs on 1, 2, 4 and 8 CPU's? I'd guess that 8 CPU's
>
> may be only 20-30% faster than 4 CPU's (but I'd like to know if I'm wrong!).
>
> > ehab at biof.ufrj.br wrote:
>
> >
>
> >>Please, somebody can tell me how is the time performance of GROMACS in a
>
> >>Origin 2000? I just need to know the system size, the time of the simulation
>
> >>(like 1ns) and the real time it took to run (like 3 days) on this machine.
>
> There are benchmarks on www.gromacs.org, surely there is also (something
>
> like) an Origin tested, or at least an r12k or r14k machine.
>
> --
>
> Groetjes,
>
> Anton
>
>   _____________ _______________________________________________________
>
> |             |                                                       |
>
> |  _   _  ___,| K. Anton Feenstra                                     |
>
> | / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
>
> |(   |   )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands   |
>
> | \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
>
> |             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
>
> |             | "If You See Me Getting High, Knock Me Down"           |
>
> |             | (Red Hot Chili Peppers)                               |
>
> |_____________|_______________________________________________________|
>
> _______________________________________________
>
> gmx-users mailing list
>
> gmx-users at gromacs.org
>
> http://www.gromacs.org/mailman/listinfo/gmx-users
>
> Please don't post (un)subscribe requests to the list. Use the
>
> www interface or send it to gmx-users-request at gromacs.org.
>
--
------------------------------------------------------
Ran Friedman
Laser laboratory for fast reactions in biology
Department of biochemistry
Faculty of life sciences
Tel-Aviv university
972-3-6409824
------------------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20031123/d6b6d066/attachment.html>