Job Scripts

Source: src/lib/workflow/JobScriptWorkplace.svelte, src/lib/workflow/job-script-store.svelte.ts

Overview

Generate and manage HPC job scripts for SLURM, PBS, and other schedulers. Integrates with the workflow engine for automated submission.

Components

JobScriptWorkplace

Interactive editor for job script creation and management.

Scheduler Support

SLURM

Generate sbatch scripts with resource specifications.

PBS/Torque

Generate qsub scripts for PBS-based clusters.

Features

Template System

Pre-configured templates for common DFT codes (VASP, QE, LAMMPS).

Resource Configuration

• Nodes, tasks, memory
• Wall time
• Queue/partition selection
• GPU allocation

Environment Modules

Configure module loads for software dependencies.

Server API

Endpoints:

• POST /api/hpc/submit — Submit a job
• GET /api/hpc/status — Check job status

Related

• Workflow Engine
• Project Dashboard