[gmx-developers] g_tune_pme / threads

[Berk Hess]

Hi,

There is a thread MPI library included in Gromacs, which is compiled in
by default when you do not give --enable-mpi to configure.
This simply enables the mdrun MPI parallelization without an external
MPI library. Nothing changes anywhere, except for the parallel start-up.
I think that Sander took care that g_tune_pme works properly with thread
MPI.

Berk

Carsten Kutzner wrote:
> Hi,
>
> I saw that there was added a threads option to the pme 
> tuning utility. What is the status of the threads implementation
> and what is expected from the tuning tool in 4.5? Can we have
> separate pme threads already?
>
> Carsten
>
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