https://github.com/aiidateam/aiida-submission-controller

Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time

https://github.com/aiidateam/aiida-submission-controller

Science Score: 36.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • CITATION.cff file
  • codemeta.json file
    Found codemeta.json file
  • .zenodo.json file
    Found .zenodo.json file
  • DOI references
  • Academic publication links
  • Committers with academic emails
    1 of 6 committers (16.7%) from academic institutions
  • Institutional organization owner
  • JOSS paper metadata
  • Scientific vocabulary similarity
    Low similarity (9.8%) to scientific vocabulary

Keywords from Contributors

aiida common-workflows dft quantum-espresso
Last synced: 10 months ago · JSON representation

Repository

Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time

Basic Info
  • Host: GitHub
  • Owner: aiidateam
  • License: mit
  • Language: Python
  • Default Branch: main
  • Homepage:
  • Size: 70.3 KB
Statistics
  • Stars: 9
  • Watchers: 3
  • Forks: 11
  • Open Issues: 11
  • Releases: 0
Created about 5 years ago · Last pushed over 1 year ago
Metadata Files
Readme Changelog License

README.md

AiiDA submission controller

Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time.

This project is still in early phase and the API might change.

It includes an abstract base class that implements the main logic, a very simple example of an implementation to compute a 12x12 addition table (in examples/add_in_batches.py), and a main script to run it (and get results and show them).

To use it, you are supposed to launch the script (e.g. in a screen terminal) with something like this: bash cd examples while true ; do verdi run add_in_batches.py ; sleep 5 ; done where you can adapt the sleep time. Typically, for real simulations, you might want something in the range of 5-10 minutes, or anyway so that at every new run you have at least some new processes to submit, but still less that the maximum number of available slots, to try to keep the 'queue' quite filled at any given time.

There is also a second subclass that, rather than just creating new submissions from some extras, will use (input) nodes in another group as a reference for which calculations to run (e.g.: a group of crystal structures, representing the inputs to a set of workflows).

Owner

  • Name: AiiDA team
  • Login: aiidateam
  • Kind: organization

The development team of AiiDA

GitHub Events

Total
  • Issues event: 1
  • Watch event: 1
  • Delete event: 3
  • Issue comment event: 4
  • Push event: 9
  • Pull request review event: 2
  • Pull request event: 6
  • Create event: 4
Last Year
  • Issues event: 1
  • Watch event: 1
  • Delete event: 3
  • Issue comment event: 4
  • Push event: 9
  • Pull request review event: 2
  • Pull request event: 6
  • Create event: 4

Committers

Last synced: about 1 year ago

All Time
  • Total Commits: 57
  • Total Committers: 6
  • Avg Commits per committer: 9.5
  • Development Distribution Score (DDS): 0.509
Past Year
  • Commits: 11
  • Committers: 2
  • Avg Commits per committer: 5.5
  • Development Distribution Score (DDS): 0.364
Top Committers
Name Email Commits
Marnik Bercx m****x@g****m 28
Giovanni Pizzi g****i@e****h 15
Austin Zadoks a****s@p****e 6
t-reents t****1@g****m 5
Austin Zadoks z****7@g****m 2
Emanuele Bosoni b****e@t****e 1
Committer Domains (Top 20 + Academic)
tcd.ie: 1 pm.me: 1 epfl.ch: 1

Issues and Pull Requests

Last synced: 10 months ago

All Time
  • Total issues: 11
  • Total pull requests: 16
  • Average time to close issues: 8 months
  • Average time to close pull requests: 4 months
  • Total issue authors: 3
  • Total pull request authors: 6
  • Average comments per issue: 0.36
  • Average comments per pull request: 1.63
  • Merged pull requests: 12
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 1
  • Pull requests: 4
  • Average time to close issues: N/A
  • Average time to close pull requests: about 5 hours
  • Issue authors: 1
  • Pull request authors: 1
  • Average comments per issue: 0.0
  • Average comments per pull request: 0.75
  • Merged pull requests: 3
  • Bot issues: 0
  • Bot pull requests: 0
Top Authors
Issue Authors
  • mbercx (9)
  • Minotakm (1)
  • DrFedro (1)
Pull Request Authors
  • mbercx (12)
  • t-reents (7)
  • azadoks (2)
  • khsrali (1)
  • bosonie (1)
  • zooks97 (1)
Top Labels
Issue Labels
enhancement (2)
Pull Request Labels

Packages

  • Total packages: 1
  • Total downloads:
    • pypi 126 last-month
  • Total dependent packages: 1
  • Total dependent repositories: 0
  • Total versions: 3
  • Total maintainers: 1
pypi.org: aiida-submission-controller

Utilities for controlling submission flow in AiiDA

  • Versions: 3
  • Dependent Packages: 1
  • Dependent Repositories: 0
  • Downloads: 126 Last month
Rankings
Dependent packages count: 7.1%
Average: 19.9%
Dependent repos count: 32.6%
Maintainers (1)
Last synced: 11 months ago

Dependencies

.github/workflows/ci.yml actions
  • actions/cache v3 composite
  • actions/checkout v3 composite
  • actions/setup-python v4 composite
pyproject.toml pypi
  • aiida-core >=1.0
  • pydantic ~=1.10.4
  • rich *
.github/workflows/cd.yml actions
  • actions/checkout v2 composite
  • actions/setup-python v2 composite