"Meanwhile, AMBER16 refactored to SM 7 and beyond is already hitting 730
ns/day on JAC NVE 2 fs. AMBER20 with the grid interpolation and local force
precision sub FP32 force hacks removed hits 572 ns/day (down from 632 if
left in as we shipped it). That puts me nearly 1/3 to my goal of doubling
overall AMBER performance which is what is important to me and where I'm
going to focus my efforts..."
Please explain here.
1.) Why are we back to using the old JAC NVE 2fs benchmark? The new
benchmarks were redesigned several years ago to make more uniform tests and
take settings that standard practitioners are now using.
2.) Why is Amber16 being refactored rather than Amber20?
3.) What does it mean to be hitting 730 ns/day? What card is being
compared here--the Amber20 benchmarks look like they could be a V100,
Titan-V, or perhaps an RTX-2080Ti.
On Sun, Apr 4, 2021 at 12:11 PM Scott Le Grand <varelse2005.gmail.com>
wrote:
> But getting back on topic, CUDA 7.5 is a 2015 toolkit and SM 5.x and below
> are deprecated now. SM 6 is a huge jump over SM 5 enabling true virtual
> memory and I suggest deprecating support for SM 5 across the board. SM 7
> and beyond alas mostly complicated warp programming and introduced tensor
> cores which currently seem useless for straight MD, but perfect for running
> AI models inline with MD.
>
> CUDA 8 is a 2017 toolkit. That's way too soon to deprecate IMO and if cmake
> has ish with it, that's a reason not to use cmake, not a reason to
> deprecate CUDA 8.
>
>
> On Sun, Apr 4, 2021 at 8:55 AM Scott Le Grand <varelse2005.gmail.com>
> wrote:
>
> > Ross sent me two screenshots of cmake losing its mind with an 11.x
> > toolkit. I'll file an issue, but no, I'm not going to fix cmake issues
> > myself at all. I'm open to someone convincing me cmake is better than the
> > configure script, but no one has made that argument yet beyond "because
> > cmake" and until that happens, that just doesn't work for me. Happy to
> > continue helping with the build script that worked until convinced
> > otherwise. Related: I still use nvprof, fight me.
> >
> > Meanwhile, AMBER16 refactored to SM 7 and beyond is already hitting 730
> > ns/day on JAC NVE 2 fs. AMBER20 with the grid interpolation and local
> force
> > precision sub FP32 force hacks removed hits 572 ns/day (down from 632 if
> > left in as we shipped it). That puts me nearly 1/3 to my goal of doubling
> > overall AMBER performance which is what is important to me and where I'm
> > going to focus my efforts as opposed to the new shiny build system that
> is
> > getting better (and I *hate* cmake for cmake's sake), but we rushed it to
> > production IMO like America reopened before the end of the pandemic.
> >
> >
> >
> >
> >
> > On Sun, Apr 4, 2021 at 5:51 AM David A Case <david.case.rutgers.edu>
> > wrote:
> >
> >> On Sat, Apr 03, 2021, Scott Le Grand wrote:
> >>
> >> >cmake is still not quite ready for prime time disruption of configure.
> >> It's
> >> >getting there though.
> >>
> >> If there are problems with cmake, please create an issue on gitlab, and
> >> mention .multiplemonomials to get Jamie's attention. Please try to
> avoid
> >> the syndrome of saying "I can get this to work with configure, and I'm
> to
> >> busy right now to do anything else."
> >>
> >> I have removed the documentation for the configure process in the
> Amber21
> >> Reference Manual, although the files are still present. We can't
> continue
> >> to support and test two separate build systems, each with their own
> bugs.
> >>
> >> ...thx...dac
> >>
> >>
> >> _______________________________________________
> >> AMBER-Developers mailing list
> >> AMBER-Developers.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber-developers
> >>
> >
> _______________________________________________
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Received on Sun Apr 04 2021 - 12:30:02 PDT
