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

From: David A Case via AMBER <>
Date: Wed, 4 Jan 2023 09:13:40 -0500

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 - 06:30:02 PST
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