Date: Fri, 11 Aug 2023 14:10:27 -0400
Hi All,
Has anyone tested the latest AMBER 22 on the L40 GPU cards? I recently
noticed that the potential calculated from the L40 card is different from
that calculated from other A100 and V100 cards. As shown below, the ELEC
and VIRAL have different values with V100 and L40 GPUs. And the
calculations with L40 will break down very quickly! Does anyone have idea
about this?
[image: image.png]
Best,
Jinan
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
(image/png attachment: image.png)
