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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-----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 Wed Mar 05 2025 - 21:00:03 PST
