[gmx-users] How OpenMP works with CUDA/GPU in Gromacs

[Szilárd Páll]

Hi,

I suggest you check some of our recent papers on the heterogeneous
parallelization.

Chapter two in the following (GROMACS 4.6-related) paper gives a good
overview of the (then) new parallelization aspects like threading and GPU
acceleration:
http://link.springer.com/chapter/10.1007/978-3-319-15976-8_1

This more recent paper discusses how to get best performance:
http://onlinelibrary.wiley.com/doi/10.1002/jcc.24030/full

Cheers,

--
Szilárd

On Thu, Oct 1, 2015 at 2:26 AM, M Teguh Satria <mteguhsat at gmail.com> wrote:

> Hi All,
>
> I am new in using Gromacs GPU. Anyone can help to explain me, how actually
> OpenMP works with CUDA/GPU in Gromacs ? Or in which part of Gromacs that
> OpenMP helps ?
>
> Thanks in advance.
>
> Regards,
> Teguh
>
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