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Use VkFFT from OpenMM 8.1 #10

Open bdenhollander opened 7 months ago

bdenhollander commented 7 months ago

OpenMM 8.1 includes VkFFT.h version 1.2.33, which has some HIP speed improvements.

ex-rzr commented 7 months ago

Hi,

I assume that these are optimizations we first implemented here: https://github.com/amd/openmm-hip/commits/master/platforms/hip/include/vkFFT.h (https://github.com/amd/openmm-hip/commit/d97c6bd6fde391b5ae56c93189b74043b6e535f0) and then upstreamed to the main repository: https://github.com/DTolm/VkFFT/pulls?q=is%3Apr+author%3AMaetveis

Does 1.2.33 include all of them?

bdenhollander commented 7 months ago

From what I can tell, it includes the first 2 PRs. https://github.com/DTolm/VkFFT/pull/105 was implemented in 1.3.0 so it would be missing. I'm testing on RDNA2 and that optimization is not applied so I didn't notice the lack of it.

I guess this will have to wait until OpenMM upgrades to VkFFT 1.3.0+.