Best Practices for HPC
Recommendations:
- Use threads and resources properly
- Avoid huge single jobs
- Break workflows into modular rules
- Use conda or containers
- Use –dry-run before submitting large workflows
- Store configuration in YAML files
Common HPC Pitfalls with Workflow Managers
Examples:
- Requesting too many cores per rule
- Forgetting to specify memory
- Submitting thousands of tiny jobs
- Running Snakemake or Nextflow themselves on a login node
Key Takeaways with Workflow Managers
Snakemake & Nextflow provide:
- Reproducible pipelines
- Automatic dependency tracking
- Scalable HPC execution
- Environment management
- Workflow portability