Hey Ruben,
You can also try creating a docker image with the version of cuda you want.
I’ve had good luck with nvidia/cuda:11.8.0-devel-ubuntu20.04
Best,
Gard
On Wed, Mar 5, 2025 at 8:39 PM James Kress via AMBER <amber.ambermd.org>
wrote:
> You can install an appropriate CUDA version in a different directory and
> then point to that as part of the cmake file for AMBER.
>
> Jim
> James Kress Ph.D., President
> The KressWorks® Foundation
> An IRS Approved 501 (c)(3) Charitable, Nonprofit Corporation
> “ENGINEERING THE CURE” ©
> (248) 573-5499
>
> Learn More and Donate At:
> Website: http://www.kressworks.org
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> Confidentiality Notice | This e-mail message, including any attachments, is
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>
> -----Original Message-----
> From: RUBEN ANTONIO ROMO MANCILLAS <romtono.comunidad.unam.mx>
> Sent: Wednesday, March 5, 2025 10:23 PM
> To: jimkress_58.kressworks.org; 'AMBER Mailing List' <amber.ambermd.org>
> Subject: RE: [AMBER] Compilation errors with CUDA 12.6
>
> Thank you for your kind response. Unfortunately, downgrading cuda is not an
> option because we need that version or newer versions of cuda for another
> software essential to work with.
> Any ideas how to adapt the code to recent versions of cuda would be
> appreciated.
>
> Cheers,
>
> Dr. Antonio Romo-Mancillas
> School of Chemistry
> Autonomous University of Queretaro
>
>
> Página web: https://bit.ly/dacsif_uaq
>
> -----Original Message-----
> From: jimkress_58.kressworks.org <jimkress_58.kressworks.org>
> Sent: miércoles, 5 de marzo de 2025 12:45 p. m.
> To: RUBEN ANTONIO ROMO MANCILLAS <romtono.comunidad.unam.mx>; 'AMBER
> Mailing
> List' <amber.ambermd.org>
> Subject: RE: [AMBER] Compilation errors with CUDA 12.6
>
> CUDA 12.6 isn't supported. Try CUDA 11.X or CUDA 12.2
>
> Jim
> James Kress Ph.D., President
> The KressWorksR Foundation
> An IRS Approved 501 (c)(3) Charitable, Nonprofit Corporation "ENGINEERING
> THE CURE" C
> (248) 573-5499
>
> Learn More and Donate At:
> Website: http://www.kressworks.org
>
> Confidentiality Notice | This e-mail message, including any attachments, is
> for the sole use of the intended recipient(s) and may contain confidential
> or proprietary information. Any unauthorized review, use, disclosure or
> distribution is prohibited. If you are not the intended recipient,
> immediately contact the sender by reply e-mail and destroy all copies of
> the
> original message.
>
>
>
> -----Original Message-----
> From: RUBEN ANTONIO ROMO MANCILLAS via AMBER <amber.ambermd.org>
> Sent: Wednesday, March 5, 2025 12:57 PM
> To: amber.ambermd.org
> Subject: [AMBER] Compilation errors with CUDA 12.6
>
> Greetings,
>
> Recently, I have tried to compile Amber in Ubuntu-WSL with cuda 12.6. The
> serial and parallel versions were compiled without errors, only some
> warnings on the tests. But when I tried to compile for GPU, at compiling
> cuda_LinearSolvers.cu, the errors in the attached file prevent the
> compilation.
>
> Any help will be greatly appreciated.
>
> Cheers,
>
> Dr. Antonio Romo-Mancillas
> School of Chemistry
> Autonomous University of Queretaro
>
>
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Received on Thu Mar 06 2025 - 14:00:02 PST
