Skip to content

GROMACS 2025#284

Merged
RMeli merged 31 commits intoeth-cscs:mainfrom
RMeli:alps-uenv-gromacs
Feb 26, 2026
Merged

GROMACS 2025#284
RMeli merged 31 commits intoeth-cscs:mainfrom
RMeli:alps-uenv-gromacs

Conversation

@RMeli
Copy link
Copy Markdown
Member

@RMeli RMeli commented Dec 15, 2025

Add GROMACS 2025 uenv with PLUMED and PyTorch.

Based on #256.

@RMeli

This comment was marked as outdated.

@RMeli

This comment was marked as outdated.

@RMeli

This comment was marked as outdated.

@RMeli

This comment was marked as outdated.

@RMeli

This comment was marked as outdated.

@RMeli
Copy link
Copy Markdown
Member Author

RMeli commented Dec 18, 2025

Build failures related to eth-cscs/alps-cluster-config#71.

@RMeli

This comment was marked as outdated.

@RMeli

This comment was marked as outdated.

@RMeli
Copy link
Copy Markdown
Member Author

RMeli commented Dec 18, 2025

cscs-ci run alps;system=eiger;uarch=zen2;uenv=gromacs:2025

@RMeli
Copy link
Copy Markdown
Member Author

RMeli commented Dec 19, 2025

On Eiger we are hitting this issue: https://gitlab.com/gromacs/gromacs/-/issues/5289

@RMeli

This comment was marked as duplicate.

@RMeli

This comment was marked as outdated.

@RMeli

This comment was marked as outdated.

@RMeli

This comment was marked as outdated.

@RMeli

This comment was marked as outdated.

@RMeli

This comment was marked as outdated.

@RMeli
Copy link
Copy Markdown
Member Author

RMeli commented Dec 19, 2025

cscs-ci run alps;system=eiger;uarch=zen2;uenv=gromacs:2025

@RMeli
Copy link
Copy Markdown
Member Author

RMeli commented Dec 19, 2025

cscs-ci run alps;system=daint;uarch=gh200;uenv=gromacs:2025

@RMeli
Copy link
Copy Markdown
Member Author

RMeli commented Dec 19, 2025

Compilation test for eiger fixed in eth-cscs/cscs-reframe-tests#494.

@RMeli
Copy link
Copy Markdown
Member Author

RMeli commented Jan 12, 2026

cscs-ci run alps;system=daint;uarch=gh200;uenv=gromacs:2025

@RMeli

This comment was marked as outdated.

3 similar comments
@RMeli

This comment was marked as outdated.

@RMeli

This comment was marked as outdated.

@RMeli
Copy link
Copy Markdown
Member Author

RMeli commented Jan 13, 2026

cscs-ci run alps;system=eiger;uarch=zen2;uenv=gromacs:2025

@RMeli RMeli marked this pull request as ready for review January 13, 2026 09:22
@RMeli RMeli requested a review from kanduri as a code owner January 13, 2026 09:22
@RMeli
Copy link
Copy Markdown
Member Author

RMeli commented Jan 27, 2026

cscs-ci run alps;system=eiger;uarch=zen2;uenv=gromacs:2025

@kanduri
Copy link
Copy Markdown
Collaborator

kanduri commented Jan 27, 2026

cscs-ci run alps;system=daint;uarch=gh200;uenv=gromacs:2025

@RMeli
Copy link
Copy Markdown
Member Author

RMeli commented Jan 28, 2026

cscs-ci run alps;system=eiger;uarch=zen2;uenv=gromacs:2025

@RMeli RMeli merged commit 4f5e642 into eth-cscs:main Feb 26, 2026
3 checks passed
@RMeli RMeli deleted the alps-uenv-gromacs branch February 26, 2026 08:01
github-merge-queue bot pushed a commit to eth-cscs/cscs-docs that referenced this pull request Feb 26, 2026
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

2 participants