Re: [AMBER-Developers] Fw: AMBER 18 and A100?

From: Scott Le Grand <varelse2005.gmail.com>
Date: Wed, 18 Aug 2021 17:11:44 -0700

I *think* you just need to hack in SM 8 support to the makefile and it will
just work.

On Tue, Aug 17, 2021 at 11:49 AM Ilyas Yildirim <iyildirim.fau.edu> wrote:

> I posted the following email to the AMBER mailing list but did not get any
> response. Does anyone know any way to use amber18 with A100 NVIDIA cards?
> Thanks in advance.
>
> Best regards,
>
> Ilyas Yildirim, Ph.D.
> ---------------------------------------------------------
> = Assistant Professor =
> = Department of Chemistry & Biochemistry =
> = Florida Atlantic University =
> = 5353 Parkside Drive, Building MC17, Jupiter, FL 33458 =
> =
> = Phone: +1(561)799-8325 | E-mail: iyildirim.fau.edu =
> ---------------------------------------------------------
> = Website: http://cosweb1.fau.edu/~iyildirim =
> = http://www.linkedin.com/in/yildirimilyas =
> = http://scholar.google.com/citations?user=O6RQCcwAAAAJ =
> ---------------------------------------------------------
>
> ________________________________
> From: Ilyas Yildirim <iyildirim.fau.edu>
> Sent: Friday, August 13, 2021 2:00 AM
> To: AMBER Mailing List <amber.ambermd.org>
> Subject: AMBER 18 and A100?
>
> Dear All,
>
> Is it possible to compile AMBER18 to use A100? If yes, how is the CUDA
> version compiled? We compiled successfully using CUDA 10, but all the tests
> fail with the following error message:
>
> cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol
>
> Do we need to upgrade to AMBER20 to make A100 work? Thanks.
>
> Cheers,
>
> Ilyas Yildirim, Ph.D.
> ---------------------------------------------------------
> = Assistant Professor =
> = Department of Chemistry & Biochemistry =
> = Florida Atlantic University =
> = 5353 Parkside Drive, Building MC17, Jupiter, FL 33458 =
> =
> = Phone: +1(561)799-8325 | E-mail: iyildirim.fau.edu =
> ---------------------------------------------------------
> = Website: http://cosweb1.fau.edu/~iyildirim =
> = http://www.linkedin.com/in/yildirimilyas =
> = http://scholar.google.com/citations?user=O6RQCcwAAAAJ =
> ---------------------------------------------------------
>
> _______________________________________________
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> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
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Received on Wed Aug 18 2021 - 17:30:03 PDT
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