[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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