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SEAMM-EXEC

  • Getting Started
  • API Documentation
  • Developer Documentation
  • SEAMM Documentation
  • MolSSI
  • GitHub
  • Twitter
  • Getting Started
  • API Documentation
  • Developer Documentation
  • SEAMM Documentation
  • MolSSI
  • GitHub
  • Twitter

Section Navigation

  • Campaigns
    • 2026-10-02 – Parallel execution: the task layer, schedulers and parallel loops
  • Developer Documentation
  • Campaigns

Campaigns#

Each subdirectory is named for the date the campaign started and holds its index.rst (scope and plan) plus any notes written as the campaign unfolds.

Contents:

  • 2026-10-02 – Parallel execution: the task layer, schedulers and parallel loops
  • Purpose
  • Requirements
  • What exists today
  • Architecture
  • The task API (seamm_exec)
  • Scheduler abstraction
  • Configuration
  • Model Chemistry batch contract
  • Tables in the job database
  • Checkpointing
  • The parallel Loop
  • How the MBE step maps onto this
  • Dashboard visibility
  • Rollout and compatibility
  • Phases
  • Decisions (2026-10-02)
  • Remaining questions
  • Notes

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2026-10-02 – Parallel execution: the task layer, schedulers and parallel loops

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