Skip to content

Warn about a fixed random seed in a loop - #42

Merged
seamm merged 2 commits into
mainfrom
dev
Oct 17, 2026
Merged

seamm merged 2 commits into
mainfrom
dev

Conversation

@paulsaxe

Copy link
Copy Markdown
Contributor
  • A step in a loop's body that uses a fixed random seed, such as LAMMPS's
    Velocities, gives every iteration the same random numbers: iterations that start
    from the same structure are then the same run, not independent replicas. The
    check before the job runs warns about it, with a fix setting the seed to random.

🤖 Generated with Claude Code

paulsaxe and others added 2 commits October 17, 2026 14:58
Iterations that start from the same structure with the same seed are the same
run, not replicas. Applies to serial and parallel loops (not over systems);
the fix sets the seed to random.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
@paulsaxe paulsaxe added the enhancement New feature or request label Oct 17, 2026
@paulsaxe
paulsaxe requested a review from seamm October 17, 2026 20:26

@seamm seamm left a comment

Copy link
Copy Markdown
Contributor

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

LGTM

@seamm
seamm merged commit bc3f0b6 into main Oct 17, 2026
6 checks passed
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

enhancement New feature or request

Projects

None yet

Development

Successfully merging this pull request may close these issues.

2 participants