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

From: Md Fulbabu Sk via AMBER <>
Date: Wed, 4 Jan 2023 09:44:38 -0600

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 <> 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
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Received on Wed Jan 04 2023 - 08:00:02 PST
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