[gmx-developers] Is there any hip version of gromacs?

[Paul Bauer]

Hello,

I would also be interested to see any HIP port of a relatively recent
version of GROMACS. Can you share who ported it?

Cheers

Paul

On Sat, 4 Jan 2020, 17:05 Vedran Miletić, <vedran at miletic.net> wrote:

> Hi Zhang,
>
> 2018.7 with HIP sounds very interesting. Is the code open source and
> posted somewhere?
>
> Regards,
> Vedran
>
> 04. 01. 2020. u 07:49, 张驭洲 je napisao/la:
> > Dear gromacs developers,
> >
> > I want to know if there is any HIP version of gromacs.HIP is a thin
> > layer above the AMD Rocm stack, and it allows CUDA code to be converted
> > to portable C++. You can find more details about HIP on
> > https://github.com/ROCm-Developer-Tools/HIP. Currently gromacs runs on
> > AMD GPU via OpenCL,but the performance of the OpenCL version may be
> > worse than the CUDA version.
> >
> > Actually I have a HIP version of gromacs right now, which is converted
> > from 2018.7. I have tested it on AMD MI50 GPUs and get 10%~30% better
> > performance on some test cases than the OpenCL code of gromacs 2019.3. I
> > want to know if there is any official plan to develop HIP version
> > gromacs, or anyone else who is interested in this work.
> >
> >
> > Sincerely,
> >
> > zhang
> >
> >
>
> --
> Vedran Miletić
> vedran.miletic.net
> --
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