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
Previous
Next
RC Logo RC Logo © 2026 The Rector and Visitors of the University of Virginia