Here's gromacs DHFR... But also, not the same benchmark... Kind of MCU vs
DCEU but who am I kidding? Who cares?
https://www.gromacs.org/Documentation_of_outdated_versions/Installation_Instructions_4.5/GROMACS-OpenMM#GPU_Benchmarks
STMV is probably in this container somewhere.
https://www.amd.com/en/technologies/infinity-hub/gromacs
Good luck comparing apples and oranges here... No good will come of this
IMO...
On Wed, Feb 2, 2022 at 11:58 AM Scott Brozell <sbrozell.comcast.net> wrote:
> Hi,
>
> They want to benchmark a variety. So dhfr, factor9, cellulose, and stmv
> had a wide range from 24k to 1M atoms. It's definitely not clear how to
> get directly comparable Gromacs benchmarks, but a range that has
> significant overlap in size/performance/something-else is probably what
> the doctor ordered.
>
> thanks,
> scott
>
> ps
> Why did the Gromacs PIs cross the road ?
> They got beautiful love letters from an Amber PI, but the handwriting
> was atrocious, so they went to their doctors to see if they could read
> them. The doctors could, and they all fell in love. The end.
> Based on a true story.
> ;0)
>
> On Wed, Feb 02, 2022 at 11:20:50AM -0800, Scott Le Grand wrote:
> > So how big a system do you want to simulate? Also, GROMACS and AMBER are
> a
> > bit apples and oranges due to mixed precision force accumulation, no
> > neighbor list cheats, and deterministic computation.
> >
> > I'd stopped harping on determinism, but now that the AI people are
> puffing
> > their chests about it, might as well remind them we had it a decade ago.
> >
> > On Wed, Feb 2, 2022 at 11:14 AM Scott Brozell <sbrozell.comcast.net>
> wrote:
> >
> > > Just wondering whether someone can recommend Gromacs benchmarks that
> are
> > > comparable to our Amber benchmarks. The focus is on multi-gpus in the
> > > context of a project for better communications, cuda aware mpi, etc.:
> > > "Collaborative Research: Frameworks: Designing Next-Generation MPI
> > > Libraries for Emerging Dense GPU Systems."
> > > https://www.nsf.gov/awardsearch/showAward?AWD_ID=1931537
> > >
> > > thanks,
> > > scott
>
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Received on Wed Feb 02 2022 - 15:00:02 PST
