On Fri, 2005-12-16 at 15:00 +0100, Barbault Florent wrote:
> Hello,
>
>
> We want to install a parrallelized version of amber on a dual core processor
> P4. Is there a easy way to do such compilation? Do we need to install a MPI
> version?
>
> Any helps, even if it looks stupid will be appreciated.
>
> Best regards
--
Nelson Fonseca <nfonseca.dq.ua.pt>
Hi!
yes, you need to compile a parallel version of AMBER 8, in the usual
way, in order to gain speed performance in P4/Dual Core.
Im using a MPI version of sander and pmemd in our linux cluster, and in
some P4/Dual-Core and I have compiled the source code from the configure
scripts provided for MPI versions. I recommend that you compile with
MPICH2.
The scaling factor speed for P4/Dual-Core is 1.97 compared with
monoprocessor version.
Nelson Fonseca
University of Aveiro
PORTUGAL
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Received on Fri Dec 16 2005 - 14:53:00 PST
