Dear Amber community,
Our calculation node is equipped with 2 GPUs: one 3080 and one 4070Ti. When
using the 4070Ti GPU, the Amber simulation gives wrong results. The density
is around 0.1. However, when running on the 3080 GPU in the same node, the
simulation is correct. The density is around 1.0. The issue is reproducible
and the 4070Ti GPU passed several GPU healthy testing software.
You can find both input and output files in the following google drive link.
https://drive.google.com/drive/folders/1YwF33Rb6hm2mb8jwPizNJZpAdqWRbC-7?usp
=sharing
Our calculation node is running Debian 9 with gcc-6.3 and cuda-11.5. We
tried both nvidia driver 535.54.03 and 535.86.05 but the issue remains. We
tried both amber version 20 and 22 but the issue remains.
Any clue where the problem is?
Best,
Wang Yin
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Received on Mon Aug 07 2023 - 01:00:02 PDT
