Re: [AMBER] Reduced Performance with pmemd.cuda Compared With Benchmarks.

From: David A Case <>
Date: Thu, 6 Aug 2020 07:52:31 -0400

On Wed, Aug 05, 2020, Dave Cerutti wrote:

>We made some performance improvements in Amber18 that will carry over to
>Amber20 once the patch hits. The sooner you can upgrade, the better, but
>the performance of Amber20 will probably still be better than Amber16 on a
>GTX-1080Ti even without the patch.

I'll just note that the RTX performance patch, which also provides support for
CUDA 11.0 and the Ampere architecture, has now been posted as update.6.
Use the update_amber script (or just re-run cmake) to apply the patch, then


AMBER mailing list
Received on Thu Aug 06 2020 - 05:00:03 PDT
Custom Search