Re: [AMBER] Use Amber12 with cuda

From: Dr. Anselm Horn <>
Date: Fri, 17 Sep 2021 11:05:30 +0200


when you look into the Amber12 manual
(also available at
then there is a section about its CUDA capabilities including
installation instruction.
(Whether the code, however, will compile and run with your cuda version
and GPU hardware, I cannot tell.)

I suppose that things would get a lot easier, if you switch to a newer
Amber version. Or do you need some pmemd features from Amber12 that are
no longer available?



On 09/17/2021 05:01 AM, Rana Rehan Khalid wrote:
> Dear Amber Users
> We have amber12 installed on our cluster, We are using it for many years,
> Now our lab is updated with GPUS graphic card RTX-A5000. Can we use amber12
> with Cuda? Please guide me. I can use amber2020 with Cuda, But I am
> interested to use amber 12 with Cuda. is this possible? If yes Kindly guide
> me
> Thanks for your help.
> Best
> Rehan
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Received on Fri Sep 17 2021 - 02:30:03 PDT
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