PLUMED support for GROMACS 2025/RTX 50-series GPU issues

Niklas Doering

unread,

May 22, 2025, 3:28:51 AMMay 22

to PLUMED users

Dear PLUMED developers,

I’m currently trying to set up a GROMACS installation patched with PLUMED on my system. However, I’ve encountered a compatibility issue: the latest PLUMED releases appears to support GROMACS only up to the 2024 version, while my system includes an RTX 50-series GPU, which requires GROMACS 2025 or later for proper support.

Is there already a PLUMED patch available for GROMACS 2025 that I may have missed?

Thank you in advance for your help!

Best regards,

Niklas

Carlo C

unread,

Jun 12, 2025, 7:37:48 AMJun 12

to PLUMED users

GROMACS 2025 natively supports plumed without a patch

Wayne Liang

unread,

Sep 21, 2025, 9:29:02 AM (13 days ago) Sep 21

to PLUMED users

My understanding is that many plumed functionalities do not support yet by gromacs2025.x

I am running in to the same issues.

I was able to run gromacs-2024.6 (released after RTX50 series launched) patched with plumed-2.10. However, for REST2 simulation, the exchange ratio is completely wrong.

Reply all

Reply to author

Forward