Re: [AMBER] AMD GPU install problems (David A Case)

From: Charo del Genio via AMBER <>
Date: Fri, 9 Jun 2023 13:51:13 +0100

On 08/06/2023 19:39, Derek M Shore via AMBER wrote:
> Hi Dr. Case,
> Thanks very much—using AmberTools22 for the install was exactly what was needed! The AMD/HIP-supported compile was trivial with this version of AmberTools.
> AmberTool22 is perfectly fine for our purposes—we were only trying AmberTools23 because that’s the only available version of AmberTools currently available on
> Thanks again,
> Derek

Dear all,
        thank you for the suggestions. However, even using AmberTools22 I still cannot compile the suite. Specifically, in the "configure" phase of cmake, I still get the error that the variable
CUDA_TOOLKIT_INCLUDE is not defined. Then, depending on whether I use my own usual cmake options or those defined in the compile-with-hip shell file, I also get the error

HIP_ARCHITECTURES is empty for target "pmemd_cuda_DPFP"

Is there some extra step I'm missing here, by any chance?



Dr. Charo I. del Genio
Senior Lecturer in Statistical Physics
Applied Mathematics Research Centre (AMRC)
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Coventry University Technology Park
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Received on Fri Jun 09 2023 - 06:00:02 PDT
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