Re: [AMBER] Can not install Amber with CUDA supported

From: Ross Walker via AMBER <amber.ambermd.org>
Date: Sat, 21 Jan 2023 11:45:16 -0500

Hi Broto,

Be sure to apply the latest updates before trying to compile. That will add support for CUDA 11.8. (Note the version reported by nvidia-smi is the latest version of CUDA that the driver will support. nvcc -v gives you the version of the CUDA compiler you are using).

cd amber22_src/
./update_amber --update

All the best
Ross

> On Jan 21, 2023, at 08:54, Broto Santoso via AMBER <amber.ambermd.org> wrote:
>
> Dear Amber admin,
>
> I got a problem when installing amber with CUDA support, it said that CUDA
> version was not supported. The machine is in the school's lab, so I can not
> attach the screenshots or log file in this email yet.
>
> Specs of Machine:
>
> - Centos 7
> - NVidia RTX 3080
> - NVidia driver version 525.60 (but nvidia-smi shows its Cuda version:
> 12.0)
> - NVCC version 11.8
> - Amber22/AmberTools22
>
> Best regards,
>
> --
> *Broto Santoso*
> Laboratorium Kimia Farmasi
> Fakultas Farmasi UMS
> mobile: +6282136414379 (*no call, sms only*)
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Received on Sat Jan 21 2023 - 09:00:02 PST
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