High-performance computing (HPC) is essential for engineers, researchers, and scientists tackling complex problems. It supports advanced simulations, large-scale data analysis, and faster development cycles. To maximize its value, teams need strategies that balance infrastructure, workflows, software, collaboration, and long-term planning.

This streamlined guide with 44 practical tips has been developed to help fellow engineers and HPC experts build and operate highly efficient and automated HPC infrastructures for engineering simulations, and foster collaboration among simulation engineers and HPC infrastructure experts. These 44 practical tips have been extracted from the UberCloud CFD Compendium of 39 case studies with applying AI. Unlike the 20 major SimOps best practices which we extracted from our e-Book and Framework papers, these 44 tips are extracted from real HPC Cloud projects.

In the following, we present the 44 practical, non-repetitive tips, grouped into six main areas, which are compliant with the SimOps Best Practices.

Cloud Strategy & Infrastructure

Cloud computing provides flexible, on-demand access to powerful computing resources, removing the need for expensive on-site hardware. Choosing the right provider ensures scalability, pay-as-you-go pricing, and adaptability to project needs. Hybrid environments that combine on-premise and cloud resources give teams the flexibility to handle diverse workloads efficiently. Cloud storage and cloud-based HPC services allow for secure, scalable data management and make it easier for organizations to respond to changing demands without over-provisioning.

1. Use cloud computing for HPC: Access powerful resources on-demand without investing in costly hardware.

2. Choose the right provider: Look for scalability, flexible pricing, and strong support.

3. Use cloud-based HPC platforms: Services like Rescale, Simr, or Simscale let you rent compute power instead of building in-house.

4. Adopt hybrid environments: Combine on-premise and cloud resources for flexibility.

5. Use cloud storage: Scale data capacity securely as projects grow.

Workflow & Performance Optimization

Optimizing workflows is essential to make the most of HPC resources. Streamlining processes, minimizing data transfer overhead, and using containerization help tasks run smoothly and reliably. Parallel processing and load balancing reduce computation times, while continuous performance monitoring allows teams to identify bottlenecks early. Visualization tools and data analytics improve understanding of complex results, enabling engineers to make faster, more informed decisions while maintaining high levels of efficiency.

6. Optimize workflows: Arrange processes to minimize bottlenecks and wasted effort.

7. Use containerization: Package and run applications consistently across environments.

8. Monitor and analyze performance: Track resource use and address inefficiencies early.

9. Use parallel processing: Split workloads to finish tasks faster.

10. Optimize simulation parameters: Adjust mesh size, time steps, or precision for efficiency.

11. Use visualization tools: Tools like ParaView help interpret complex results.

12. Use load balancing: Spread workloads evenly across systems.

13. Apply data analytics: Identify patterns and opportunities for improvement.

Data Management & Security

Effective data management and security are critical for reliable HPC operations. Proper planning for storage, transfer, and archiving ensures that data remains organized and accessible throughout a project. Security measures, such as encryption and role-based access control, protect sensitive or confidential information. Compliance with industry regulations and disaster recovery plans further safeguard data and resources, while high availability designs ensure that workloads continue running smoothly even under challenging conditions.

14. Plan data management: Define how storage, transfer, and backups will be handled.

15. Ensure data security: Protect sensitive data with encryption and access controls.

16. Maintain compliance: Follow industry regulations relevant to your work.

17. Develop a disaster recovery plan: Prepare for outages and failures.

18. Design for high availability: Keep systems resilient with minimal downtime.

Software, Tools & Development Practices

Using the right software and development approaches is key to maintaining performance and reliability. Open-source tools offer flexibility and cost savings, while well-designed meshes and user-friendly interfaces improve simulation accuracy and accessibility. Agile development, workflow management, testing, and continuous integration enable teams to iterate quickly, maintain software quality, and adapt HPC applications to evolving project requirements. These practices help maximize efficiency while keeping systems robust and adaptable.

19. Use open-source software: Save costs and increase flexibility (e.g., OpenFOAM).

20. Build robust meshes: Accuracy often depends on mesh quality.

21. Develop user-friendly interfaces: Lower barriers for non-expert users.

22. Use workflow management tools: Automate and coordinate tasks efficiently.

23. Apply agile methodologies: Work in smaller steps to adapt quickly.

24. Test and validate thoroughly: Catch errors before scaling up.

25. Use continuous integration and delivery: Release updates regularly to keep systems current.

People, Training & Collaboration

Collaboration and training are central to effective HPC usage. Leveraging expertise from domain specialists, providing hands-on training, and fostering knowledge-sharing ensures teams can make the most of available resources. Encouraging clear communication and user adoption reduces friction, while partnerships with industry peers keep teams informed of new technologies and best practices. Strong collaboration practices make HPC environments more inclusive, efficient, and effective for all participants.

26. Leverage HPC expertise: Involve specialists to optimize system use.

27. Collaborate with experts across fields: Blend domain and technical knowledge.

28. Provide hands-on training: Enable teams to use tools effectively.

29. Partner with industry peers: Stay updated on new technologies and methods.

30. Build a knowledge-sharing system: Capture lessons learned and make them accessible.

31. Encourage open communication: Keep teams aligned and informed.

32. Support user adoption: Help users feel confident and comfortable with the system.

33. Engage stakeholders: Align expectations and progress transparently.

Project & Business Management

Planning, monitoring, and managing HPC projects ensures successful outcomes and long-term value. Clear project plans, capacity planning, and cost tracking help teams stay on schedule and within budget. Support, maintenance, and change management practices increase system reliability, while risk management and continuous improvement processes prepare organizations for evolving challenges. Innovation and forward-looking strategies ensure HPC resources remain relevant, flexible, and capable of supporting future growth.

34. Create a clear project plan: Define goals, timelines, and responsibilities.

35. Monitor and manage costs: Track spending to use resources wisely.

36. Build scalability into systems: Ensure capacity grows with project needs.

37. Develop a business case: Show how HPC supports organizational goals.

38. Plan support and maintenance: Ensure systems remain reliable long-term.

39. Define a roadmap for adoption: Plan how HPC will expand over time.

40. Manage organizational change: Guide teams smoothly through transitions.

41. Use IT service management practices: Apply proven frameworks to operations.

42. Implement capacity planning: Size resources for present and future needs.

43. Identify and manage risks: Anticipate problems and prepare responses.

44. Commit to continuous improvement: Regularly refine processes and systems.

High-performance computing is not just about running bigger machines or faster codes. It’s about helping people solve problems in a smarter and more reliable way. These tips are meant to give teams clear steps they can take to make daily work easier and projects more successful.

Good results in HPC come from balance,between technology and planning, between tools and teamwork. When systems are managed with care and people know how to use them well, the work flows more smoothly and with fewer surprises.

At the end of the day, HPC is a tool to explore, to test ideas, and to build solutions that matter. With thoughtful choices and steady improvements, organizations can make sure their computing resources stay useful not just for today, but for the challenges that come next.