NGC GROMACS Container: 2 Years Behind (v2023.3 vs v2025.3) - Update Plans?

AI & Data Science NGC Catalog Feedback
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Hi NVIDIA Team and Community,

I noticed that the GROMACS container on NGC (https://catalog.ngc.nvidia.com/orgs/nvidia/containers/gromacs) is currently at v2023.3, while the official GROMACS project has released 2025.3.

The NGC container was last modified in July 2025, but still contains the 2023.3 version - creating a ~2 year gap between the NGC offering and current stable releases.

Questions:

  1. Is there a plan to update the NGC GROMACS container to version 2025.x in the near future?

  2. Should we consider this container as low-priority/deprecated? If so, are there recommended alternatives for GPU-optimized GROMACS containers?

  3. What’s the typical update cadence for HPC containers like GROMACS on NGC?

The community would benefit greatly from having access to the latest GROMACS versions, especially given the significant performance improvements and new features in recent releases.

Any insight from NVIDIA or the GROMACS NGC maintainers would be appreciated!

Thanks in advance!