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 - 09:30:02 PDT
