[gmx-developers] mpi and thread command line options

[Roland Schulz]

On Wed, Jul 11, 2012 at 3:56 AM, Berk Hess <hess at kth.se> wrote:

> With process MPI we could still use -nt as setting the total number of
> threads (only
> meaningful with the Verlet scheme), this would then indirectly control
> -ntomp.
> This might not be particularly useful, but at least it makes things
> consistent.
> So with process mpi the only option which does nothing is -ntmpi.
I'm not sure this makes it more consistent. For tMPI "-nt" means the
total number of threads on that node. For process MPI with "mprun -np
n" n>1 this isn't true. Thus my suggestion to make "-nt" unavailable
for process MPI binaries, because I think it might actually be more
confusing. If we don't remove it I would suggest to have a warning
"-nt specified with a binary not supporting mpi threads. Assuming you
mean -ntomp".

Roland

>
> Cheers,
>
> Berk
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