GROMACS 2021.2 patch release available

Hi GROMACS users,

The official release of GROMACS 2021.2 is available!

This first patch release fixes several issues found since the initial release of GROMACS 2021. We encourage all users of the 2021
series to update to 2021.2. Please see the link to the release notes below for more details.

One thing we need to mention is that there is an issue with compiling any version of GROMACS with the CUDA nvcc compiler version 11.3 right now. We can’t work around this easily and reliably, so we would recommend to use previous versions of CUDA (such as 11.2) until an updated version of the compiler is available.

You can find the code, documentation, release notes, and test suite at the links below.

(including release notes, install guide, user guide, reference manual)
Test Suite:

Happy simulating!


1 Like