Re: [AMBER] Fixed the problem of AMBER20 run with pmemd.cuda with CUDA11.1 and 3080 GPU card

From: Setyanto Md <stwahyudi.md.gmail.com>
Date: Mon, 4 Jan 2021 14:47:14 +0700

Thank You Liu Kai,

I just recompille using legacy configure with an additional suggestion from
you.
But, according to Ross Walker, I just add
"sm80flags='-gencode arch=compute_80,code=sm_80'"

And the test for pmemd.cuda :
:
243 file comparisons passed
6 file comparisons failed (1 of which can be ignored)
0 tests experienced errors
:

Thanks, it works.
Setyanto Tri W
-------

On Thu, Dec 31, 2020 at 10:15 PM Ross Walker <ross.rosswalker.co.uk> wrote:

> Hi Kai,
>
> Stick with sm80 since there are issues with the sm=86 with 3080 and 3090
> right now. See if that fixes it. If you still see issues then it's possible
> you have a flaky card.
>
> All the best
> Ross
>
>
>
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Received on Mon Jan 04 2021 - 00:00:02 PST
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