[CP2K-user] [CP2K:12435] Re: 10,000 atoms simulation

[Pierre Cazade]

Thanks

On 30/10/2019 12:02, Hans Pabst wrote:
> >>> In the same vein, is there any rule of thumb when it comes to 
> balancing MPI/OMP threads.
>
> https://github.com/cp2k/cp2k/tree/master/tools/plan_mpi_omp
>
> Regards, Hans
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-- 
Dr Pierre Cazade, PhD
AD3-023, Bernal Institute,
University of Limerick,
Plassey Park Road,
Castletroy, co. Limerick,
Ireland

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