On May 18, 2006, at 11:22 AM, Beniamino Sciacca wrote:
> Hi community!
> this is my question:
> I've two pc (centrino duo and AMD 64 X2), and i use molecular
> mechanics
> software (gromacs).
> I need to use both my two pc to simulate faster. The kernel in the
> pc is
> the same (2.6....).
> The pc are connected by an hub (10Mbps).
> How can i run simulation in parallel with both the pc?
> LAM is installed in both the pc, and during the compilation of
> gromacs i
> enabled LAM; so before starting "mdrun" i type "lamboot", and then
> mdrun.......
> What must I do to tell mdrun to use both the machines?
> thanks very much for your help
I've never used gromacs before, so I can't say for sure. But are you
providing a hostfile to lamboot? If not, you're not creating one
parallel environment across two machines -- it will only span the
machine on which you ran "lamboot". You might want to look at the
man page for lamboot - it has lots of usage information. Once you
have LAM started across multiple machines, you'll have to read the
Gromacs documentation to find the next step.
By the way, if you have two new machines, you might want to invest in
a better switch. A 10Mb hub is not exactly a high performance
setup. A $60 linksys 10/100 switch will give much better performance.
Brian
--
Brian Barrett
LAM/MPI developer and all around nice guy
Have a LAM/MPI day: http://www.lam-mpi.org/
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