GROMACS version: 2024.1
GROMACS modification: Yes/No
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Hello there, I am thinking of setting up a personal work station for GROMACS. My current Nvidia 970 graphic card works with GROMACS flawlessly, so Nvidia card should be my default choice. But as the field is developing so quickly, I noticed that the last topic related to AMD cosumer graphic card and GROMACS was dated almost one year ago. One post said " ROCm 5.5.1 does not officially support any RDNA3 devices "roc https://gromacs.bioexcel.eu/t/gromacs-get-stuck-amd-gpu/6625. Today I googled and found ROCm™ Software 6.0.2 support 7900 series of graphic card. So does anyone have success stories to share with running GROMACS with the latest rx 7900 graphic card.
Thank you!
I would also like to have this information. There still seems to be little data available and the available forums discourage the use of AMD GPUs. A shame since the performance of the RX7900 xtx is very high in TFlops. From the Gromacs documentation it appears to be possible to use SYCL with Adaptive cpp and ROCm 5.3 to 5.7. They do not reference ROCm 6.0.2. In other words, it is still something obscure. I’m afraid of making this investment in AMD and not having the same performance as a 4070Ti that uses consolidated CPU\GPU parallelism software like CUDA.
Hi!
There are 3rd party reports of successful runs on 7900XTX: http://bbs.keinsci.com/thread-39269-1-1.html (A series of performance benchmarks for MD Apps, including GROMACS), with it lagging behind 4070Ti, but with the newer software stack the performance should be better.
Unfortunately, we at the development team don’t have RDNA3 devices, so we can’t test it on RDNA3 at the moment.
But GROMACS is regularly tested with ROCm 5.7 and 6.0.2 and RX 6400, and works quite reliably (performance on such a low-end card is not spectacular, of course).
Thanks a lot for sharing this information!!