Gromacs compiles with CUDA 11.4

User discussions
1

GROMACS version: 2021.2
GROMACS modification: No
I crashed my computer yesterday and as I was rebuilding the software from scratch I saw that CUDA 11.4 was available. I want to report that GMX compiled successfully and that I gained about 15% faster simulation owing to the combination of Ubuntu 20.04, gcc version 9.3.8, CUDA 11.4 and Nvidia driver 470.42.01.

Mike

2 Likes
2

Hey,

compared to which CUDA version is the improvement? Did you just change CUDA and if yes from which version? Or did you also change other things? And what is your hardware? I noticed considerable better performance on my RTX 3090 when switching from CUDA10 to CUDA11.

Alexander