Re: [AMBER] Installing on amd mi300x

From: Bauer, Paul via AMBER <amber.ambermd.org>
Date: Thu, 19 Feb 2026 11:30:58 +0000

[AMD Official Use Only - AMD Internal Distribution Only]

I can't comment on those things, sorry. I'm only taking care of the AMD support for newer architectures.

/Paul

________________________________
From: Oscar Conchillo-Solé via AMBER <amber.ambermd.org>
Sent: Thursday, February 19, 2026 12:22:40 pm
To: amber.ambermd.org <amber.ambermd.org>
Subject: Re: [AMBER] Installing on amd mi300x

Caution: This message originated from an External Source. Use proper caution when opening attachments, clicking links, or responding.


Hello,
Sorry for the off-topic (kind of)
I see that you are working on amber26.
Can we expect that pmemd will support RHEL10 (or likes) and cuda 13.X ?

thank you very much

OCS

Oscar Conchillo Solé
Computational Biology Group
Data Center Manager, Sysadmin and Bioinformatics
Institut de Biotecnologia i Biomedicina (UAB)
Department of Genetics and Microbiology (UAB)
mail:Oscar.Conchillo.uab.cat
telf: 0034 93581 4431

On 19/2/26 12:16, Bauer, Paul via AMBER wrote:
> [AMD Official Use Only - AMD Internal Distribution Only]
>
> Hello,
>
> the AMBER24 build doesn't support MI300X/A and newer architectures, because the texture API has been removed for the gfx942 targets. So you won't be able to build AMBER for this architecture without changing the code.
>
> I can provide a patch for this that has been upstreamed for AMBER26 if you want.
>
> Cheers
>
> Paul
>
> -----Original Message-----
> From: Brian Cunningham via AMBER<amber.ambermd.org>
> Sent: Thursday, February 19, 2026 12:03 PM
> To:amber.ambermd.org
> Subject: [AMBER] Installing on amd mi300x
>
> Caution: This message originated from an External Source. Use proper caution when opening attachments, clicking links, or responding.
>
>
> Hi there
>
> I am an RSE and I am looking to install amber on a node of our cluster for users. I have been able to install and run the MPI CPU version and a cuda version that runs on nvidia h100, but not having any luck at all with installing with rocm6.3.3 for running on mi300x. Can expand on specific errors.
>
> Many thanks,
>
> Brian
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Received on Thu Feb 19 2026 - 04:00:02 PST
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