On Wed, Jun 28, 2023, Cristian Di Pietrantonio via AMBER wrote:
>
>My name is Cristian Di Pietrantonio and I work for the Pawsey
>Supercomputing Research Centre located in Perth, Western Australia.
>
>I spent a couple of days trying to build Amber with AMD GPU support
>for our Cray supercomputer.
The current HIP patch only works with Amber22/AmberTools22. Is it possible
that you are trying this with AmberTools23? The AMD folks are working on
updating the patch, but it is not yet ready. (I couldn't easily find out
what version of the code you are using from your link.) You can get
AmberTools22 here:
https://ambermd.org/downloads/AmberTools22jlmrcc.tar.bz2
>
>I put together a BASH script that implements the process I followed to
>compile Amber with HIP support. Here is the link to a GitHub Gist:
>
>https://gist.github.com/dipietrantonio/1f2755ae46c4b6119d2b1c540843c159
>
Thanks..I'm cc-ing this to the AMD people, who may find this helpful.
...dac
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Received on Wed Jun 28 2023 - 05:30:04 PDT
