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

Benson Muite benson_muite at emailplus.org
Sat Jan 4 08:52:27 CET 2020

Hi Zhang,

This is interesting, though  maintaining a large number of accelerated 
versions may be challenging. OpenCL is more portable than HIP, Vulkan 
looks like a possible well supported accelerator API. Is your code 
openly available?


On 1/4/20 9:49 AM, 张驭洲 wrote:
> 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
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