Hi David,
> The current HIP patch only works with Amber22/AmberTools22. Is it
> possible
> that you are trying this with AmberTools23?
That was definitely the case. I will try again with AmberTools22 and
will let you know how it goes.It may be worth updating the HIP section
on the page
https://ambermd.org/GPUSupport.php to explicitly state which
combination of Amber and AmberTools is supported.
Best regards,
Cristian Di Pietrantonio
On 28/6/23 20:18, David A Case wrote:
> 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
>
--
Cristian Di Pietrantonio
> Supercomputing Applications Specialist
. Pawsey Supercomputing Research Centre
EMAIL: cdipietrantonio[at]pawsey.org.au
ADDRESS: 26 Dick Perry Avenue, Technology Park, Kensington, WA, 6151
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Received on Wed Jun 28 2023 - 06:00:02 PDT
