Re: [AMBER] amber20 installation error in ROCKY 8.5 with RTX A6000 GPU

From: Ross Walker via AMBER <amber.ambermd.org>
Date: Wed, 4 Jan 2023 10:47:38 -0500

Try using CUDA 11.8 - support for older GPUs has been removed from CUDA 12, as well as some other functionality that is currently used so there will need to be an update released to support 12.0.

All the best
Ross

> On Jan 4, 2023, at 10:44, Md Fulbabu Sk via AMBER <amber.ambermd.org> wrote:
>
> Thanks for your reply Dave!
> My nvcc version is below,
> fulbabu.shanghai /Scr/fulbabu$ nvcc --version
> nvcc: NVIDIA (R) Cuda compiler driver
> Copyright (c) 2005-2022 NVIDIA Corporation
> Built on Mon_Oct_24_19:12:58_PDT_2022
> Cuda compilation tools, release 12.0, V12.0.76
> Build cuda_12.0.r12.0/compiler.31968024_0
>
> On Wed, Jan 4, 2023 at 8:13 AM David A Case <david.case.rutgers.edu> wrote:
>
>> On Tue, Jan 03, 2023, Md Fulbabu Sk via AMBER wrote:
>>
>>> I am trying to install the Amber20 and AmberTools20 in my Rocky 8.5 Linux
>>> with RTX A6000 GPU.
>>> When I tried to install PMEMD.CUDA then some error appeared,
>>> nvcc fatal : Unsupported gpu architecture 'compute_35'
>>
>> Can you say what version of the CUDA SDK you have ('nvcc --version')?
>>
>> You will need to edit the amber22_src/cuda/CudaConfig.cmake file, and
>> remove
>> all references to SM35FLAGS and SM30FLAGS. The re-run run_cmake.
>>
>> ....good luck...dac
>>
>>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> https://urldefense.com/v3/__http://lists.ambermd.org/mailman/listinfo/amber__;!!Mih3wA!B3RL7i1Zp70HSefLBHdCcX7-zjUf0YrMPVGt3YBZt4_uITYYotTCdnVFc6G7DZorQihsfjPAYio$


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jan 04 2023 - 08:00:03 PST
Custom Search