[gmx-users] Gromacs setup on dual core machine
Yang Ye
leafyoung at yahoo.com
Thu Mar 6 21:42:24 CET 2008
Ricardo Soares wrote:
> Hi everybody,
>
> I think this may sound rather trivial for most users, but I intend to
> install gromacs 3.3.1 on a dual core machine and I want to be sure
> what to do. Could anyone indicate me some online tutorial to do so (as
> well some simulation examples)? Is this considered parallelization
> (within one computer)?
Yes.
> Simply compiling mdrun with MPI works?
Yes. Before running mdrun, launching lamboot first if you're using LAM/MPI.
> Thanks in advance.
>
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