SimOps Software Stack
The SimOps Software Stack consists of tools that help simplify (optimize, automate) the use, operations, and management of HPC infrastructures on premises and in the cloud, for HPC system administrators and simulation engineers.
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The SimOps Software Stack is a collection of tools, services, and platforms used to implement SimOps principles and streamline the engineering simulation & HPC operation lifecycle. We call such tools SimOps compliant.
The SimOps Software Stack includes a variety of key components, similar to the DevOps software stack which is a collection of tools, services, and platforms used to implement DevOps principles and streamline the software development lifecycle.
The SimOps Software Stack includes tools for Provisioning and HPC Middleware; Platform & Access Layer; HPC Infrastructure and Workload Management; Workflow Automation; Data Management, Analytics, Visualization & Observability; CI/CD & DevOps for SimOps; and Security & Compliance tools, all working together to accelerate and automate engineering simulations running on optimized HPC infrastructures.
How to determine SimOps Compatibility of a software tool
Any software tool which is able to advance a company’s SimOps Maturity Level* and supports system
administrators and simulation engineers along this journey is a candidate for the SimOps software
stack. The level of SimOps Compatibility is determined by the company’s SimOps Maturity Level*
which depends on several factors, e.g. the degree of automation of the HPC infrastructure and the
engineering workflow, the user friendliness of access and use of the compute and data resources, the
opportunity of cost and time to market reduction, the increase of efficiency and productivity of
simulation engineers and HPC specialists, etc.
*) The SimOps Maturity Model (see the SimOps eBook for details) offers a strategic framework for organizations to assess and enhance their simulation operations. It outlines a progressive roadmap with three key stages: Prove (Crawl), Scale (Walk), and Optimize (Run). Each stage represents a different level of maturity in simulation and HPC infrastructure capabilities, guiding organizations in their journey to fully integrate and optimize simulation-driven processes.
Key Components of the SimOps Software Stack
The SimOps software stack provides a modern foundation for running engineering simulations efficiently, reproducibly, and at scale. It spans infrastructure provisioning, simulation platforms, workload automation, data analytics, and security. Together, these components enable faster innovation, better resource utilization, and secure, scalable simulation pipelines aligned with modern engineering needs.
1. Provisioning, OS & Middleware
Provisioning systems and the base environment for SimOps. Provisioning & Infrastructure as Code (IaC): Terraform, Packer, NVIDIA Base Command Manager, and Ansible.
Operating Systems: Ubuntu, RHEL, and Rocky Linux. Containerization & Virtualization: Apptainer / Singularity, Simr HPC Container*.
*)This tool will be part of the SimOps software stack catalog.
2. Simulation Platform & Access Layer
Interfaces and platforms to interact with HPC resources. Simulation Platforms: Rescale, Simr*, and SimScale.
Access Interfaces: Open OnDemand.
Cloud HPC Orchestration: AWS ParallelCluster, Azure CycleCloud, Google Cluster Toolkit.
*)This tool will be part of the SimOps software stack catalog.
3. Cluster and Workload Management & Workflow Automation
Scheduling, workflow automation, and runtime management.
Schedulers and Workload Managers: SLURM, LSF, Adaptive Moab, Gridware Cluster Scheduler*.
Workflow Automation: Nextflow & Snakemake.
MPI Libraries: Intel MPI, OpenMPI, and MVAPICH.
*)This tool will be part of the SimOps software stack catalog.
4. Data Management, Analytics & Visualization, Observability
Tools for handling, analyzing, and visualizing simulation data. Data Storage & Transfer: NFS, Globus, CEPH, and NetApp ONTAP.
Analytics & Pipelines: Pandas, Dask, RAPIDS, Apache Spark. Visualization: ParaView, NICE DCV, ANSYS EnSight, Tecplot, VTK. Monitoring & Observability: Prometheus (time series DB) and Grafana.
5. CI/CD & DevOps for SimOps
Automation and code management for simulation pipelines. Version Control: Git, GitLab, GitHub (make infrastructure changes transparent, documented, and reproducible).
CI/CD Tools: GitHub Actions, Jenkins, ArgoCD (automate infrastructure changes potentially based on events like new software versions, new OS versions etc.).
Infrastructure as Code, IaC: Terraform, Ansible (Infrastructure as code, describe your environment as code and perform automated, reproducible deployments rather than manually changing the infrastructure).
6. Cloud-Native & Edge Computing
Modern compute models enable flexibility and scalability. Serverless Simulation: AWS Lambda, Google Cloud Functions. Edge Computing: NVIDIA Jetson, and AWS Greengrass.
7. Security & Compliance
Ensuring secure and compliant simulation operations.
Access Management: OpenID, LDAP, Okta, and IAM Policies. Data Compliance: GDPR, HIPAA, and FedRAM.
Supply Chain Integrity: SLSA (https://slsa.dev/).
Examples of SimOps Compliant Software Tools
Choosing the right SimOps stack depends on the specific needs of an organization, including factors like the type of application simulations, the existing HPC infrastructure, the size of the team, and the desired level of automation.
Simulation Platforms:
Rescale, SIMR Cloud Platform, SimScale
HPC Infrastructure Management:
Azure CycleCloud, Bright Cluster Manager, OpenStack
HPC Cluster Scheduler:
Adaptive Moab, HPC Gridware Cluster Scheduler, SLURM
Benefits of Using a SimOps Software Stack
Using the SimOps software stack streamlines simulation workflows by enabling automation, scalability, and reproducibility.
Faster workflow set up
Faster, user-friendly, tested, and more tightly integrated and automated simulation workflow set up.
Higher quality Results
Optimized simulation workflows, seamless infrastructure operations, and availability of higher compute performance lead to more reliable, stable, and higher quality products.
Faster product development
Automation and streamlined workflows enable faster product development and release cycles.
Increased efficiency
Automation reduces manual tasks, freeing up engineers to focus on more simulations (e.g. design of experiments) in shorter time and strategic initiatives.
Improved collaboration
Tools facilitate communication and coordination between engineering simulation and operations teams.
Better resource utilization
Cloud-based infrastructures allow for scalable and cost-effective resource allocation.
"Improving your simulation capabilities is the key to building better products (as well as a stronger company) and I believe that SimOps is the path to doing this - just as DevOps did for software development."
Peter Ungaro, former CEO at Cray Inc. and SVP & GM at HPE
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Contribute to and benefit from the collective experience and evolution of best practices within the SimOps community. Let’s pioneer the future of engineering simulations together. The training and certification process will take approximately 1 hour.
