Gromacs version 2021/1 installed on CentOS 07 versus Rocky Linux 9

Hello,
Our group currently uses Gromacs 2021/1 version which is running on Linux cluster with CentOS 07 operation system, in case we want to switch to Rocky 9 OS, would be anticipate any incompatibility problems?
Thanks in advance

Hi Netaly, RHEL 9 and its clones come with GCC 11.2, which is a fairly modern compiler while at the same time not so bleeding-edge that minor issues might show up. You are probably going to have an easier time building there than on RHEL 7 or similar at this point.

By the way: can you use 2021.6 (latest patch release)?

Giacomo

Hello!

No one from the core GROMACS team uses Rocky Linux, but, as Giacomo said, things will likely work just fine.

I’d also suggest trying out 2022.4 since 2021.x branch will be out of support within a few weeks.

thanks a lot for your valuable inputs