Re: [AMBER-Developers] looking for testers for some new GPU code

From: Thomas Cheatham <>
Date: Thu, 19 Aug 2021 00:31:40 +0000

What AMD GPU would you need - maybe I could buy one and put it in the amber CI machine and give you a login... --tom

\-/ Professor Thomas E. Cheatham, III
-/- Department of Medicinal Chemistry, College of Pharmacy
/-\ Director, Research Computing and CHPC, UIT, U of Utah
/-\ SKH-4914 (801) 587-9652; FAX: (801) 585-6208
\-/ INSCC-410 (801) 585-6318; FAX: (801) 585-5366

From: Scott Le Grand <>
Sent: Wednesday, August 18, 2021 6:16 PM
To: AMBER Developers Mailing List
Subject: Re: [AMBER-Developers] looking for testers for some new GPU code

This is great work on the part of StreamHPC and it hits up to 2/3 the
performance of NVIDIA HW. It's a bit of WIP, but the only way to complete
it is for the AMBER community to dogfood it, doubly so if any of you have
AMD GPUs and see how it fares.

I wish I had an AMD GPU myself if only to test if the weird energy drift
issue/heisenbug repros there.

On Tue, Aug 10, 2021 at 10:15 AM David A Case <>

> Hi everyone:
> I'm looking for volunteers to test a new branch at
> If you are willing to help out, please do the following:
> checkout the amd_support branch
> build with -DCUDA=TRUE
> re-run a short piece of some simulation system you are already working
> on
> (optional) run the cuda test suite
> report success or failure here:
> This branch adds support for AMD GPU's. But the primary point of this
> request is to see if anything bad has happened to either results or
> performance on NVIDIA cards.
> Of course, if you have access to AMD hardware, you are welcome (and
> encouraged) to give things a test run on AMD as well.
> ...thanks....dac
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Received on Wed Aug 18 2021 - 18:00:03 PDT
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