[AMBER] Installing Amber on Grace Hopper GPUs with CUDA 13

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From: Pedro Ojeda May via AMBER <amber.ambermd.org>
Date: Tue, 5 May 2026 05:18:21 +0000

Hi,

I have downloaded the following codes for Ambertools and Pmemd (for my private use):

ambertools25.tar
pmemd24.tar.bz2

I tried to install them on a Cray cluster that supports CUDA 13 for Grace Hopper GPUs. I could fix some lines related to using versions
of CUDA < 12.9. But then other errors appeared related to sm_70, sm_… and “thrust” and “cub” dependencies. Is there any code version
(or patch) that supports this type of GPU and CUDA 13 and greater?

/Pedro
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Received on Mon May 04 2026 - 22:30:06 PDT