Re: [AMBER] AMBER20 on Ubuntu 20.04 and CUDA 11.2?

From: David A Case <>
Date: Sat, 19 Dec 2020 09:36:32 -0500

On Fri, Dec 18, 2020, Rudy Richardson wrote:

>I have installed AMBER20 on my Linux Mint 20 Xfce system (based on Ubuntu
>20.04 LTS). The default CUDA version for this Linux version is 11.2.
>Unfortunately, at present, it seems that the highest CUDA version that is
>compatible with AMBER20 is CUDA 10.2. For a number of reasons, I prefer to
>keep CUDA 11.2 installed and I prefer not to attempt running two versions
>of CUDA on my system. Is an update or patch planned soon for AMBER20 that
>will enable it to use CUDA 11.2?

Please visit This solution
is untested (at least by me), but stands a good chance of working.

Note the the highest CUDA version in unpatched code is 11.0, not 10.2.

I'm rather surprised that the default CUDA is 11.2, since that was
released only about a week ago, and explains why no Amber developer has
tested it yet.


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Received on Sat Dec 19 2020 - 07:00:02 PST
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