Testing is one of the most important steps in software development–it ensures the quality of software. Continuous Integration (CI) is a widely used testing standard that can report software quality to the developer in a timely manner during development progress. Performance, especially scalability, is another key factor for High Performance Computing (HPC) applications. There are many existing profiling and performance tools for HPC applications, but none of these are integrated into CI tools. In this work, we propose BeeSwarm, an HPC container based parallel scaling performance system that can be easily applied to the current CI test environments. BeeSwarm is mainly designed for HPC application developers who need to monitor how their applications can scale on different compute resources. We demonstrate BeeSwarm using three different HPC applications: CoMD, LULESH and NWChem. We utilize GitHub Actions and provision resources from Google Compute Engine. Our results show that BeeSwarm can be used for scalability and performance testing of a variety of HPC applications, allowing developers to monitor application performance over time.

In this paper, we propose a workflow orchestration system that is able to run workflows on both HPC systems and in the cloud using HPC containers. Most existing workflow orchestration systems are only able to run workflows on one system at a time, and thus may be unable to run workflows that require more resources than what some platforms provide, and may also be unable to handle validation and fault tolerance requirements. Users may have access to a number of different systems, perhaps a mix of HPC systems and private and public clouds, but currently are only able to utilize one system at a time for running complex workflows. Utilizing HPC containers, such as Charliecloud, and a subset of the Common Workflow Language (CWL) for representing workflows, we extend the BEE Orchestration System to allow for possible scheduling of complex workflows across resources. We design and implement a scheduling component and a component for interacting with OpenStack-based HPC clusters and Google Compute Engine clouds to allow for communication between any combination of Cloud and HPC components. We demonstrate how BEE orchestrates workflows across systems, making it possible to run complex scientific applications across all systems that are available to a user. These results also show that BEE will become a viable alternative to other workflow orchestration systems.

Testing is one of the most important steps in software development–it ensures the quality of software. Continuous Integration (CI) is a widely used testing standard that can report software quality to the developer in a timely manner during development progress. Performance, especially scalability, is another key factor for High Performance Computing (HPC) applications. There are many existing profiling and performance tools for HPC applications, but none of these are integrated into CI tools. In this work, we propose BeeSwarm, an HPC container based parallel scaling performance system that can be easily applied to the current CI test environments. BeeSwarm is mainly designed for HPC application developers who need to monitor how their applications can scale on different compute resources. We demonstrate BeeSwarm using a multi-physics HPC application with Travis CI, GitLab CI and GitHub Actions while using ChameleonCloud and Google Compute Engine as the compute backends. Our results show that BeeSwarm can be used for scalability and performance testing of HPC applications.

HPC centers face increasing demand for software flexibility, and there is growing consensus that Linux containers are a promising solution. However, existing container build solutions require root privileges and cannot be used directly on HPC resources. This limitation is compounded as supercomputer diversity expands and HPC architectures become more dissimilar from commodity computing resources. Our analysis suggests this problem can best be solved with low-privilege containers. We detail relevant Linux kernel features, propose a new taxonomy of container privilege, and compare two open-source implementations: mostly-unprivileged rootless Podman and fully-unprivileged Charliecloud. We demonstrate that low-privilege container build on HPC resources works now and will continue to improve, giving normal users a better workflow to securely and correctly build containers. Minimizing privilege in this way can improve HPC user and developer productivity as well as reduce support workload for exascale applications.

Variations in High Performance Computing (HPC) system software configurations mean that applications are typically configured and built for specific HPC environments. Building applications can require a significant investment of time and effort for application users and requires application users to have additional technical knowledge. Linux container technologies such as Docker and Charliecloud bring great benefits to the application development, build and deployment processes. While cloud platforms already widely support containers, HPC systems still have non-uniform support of container technologies. In this work, we propose a unified runtime framework - Build and Execution Environment (BEE) across both HPC and cloud platforms that allows users to run their containerized HPC applications across all supported platforms without modification. We design four BEE backends for four different classes of HPC or cloud platform so that together they cover the majority of mainstream computing platforms for HPC users. Evaluations show that BEE provides an easy-to-use unified user interface, execution environment, and comparable performance.

In this paper, we propose BeeFlow - an in situ analysis enabled workflow management system across multiple platforms using Docker containers. BeeFlow can support both traditional workflows as well as workflows with in situ analysis. BeeFlow leverages Docker containers to provide a portable, flexible, and reproducible workflow management system across HPC and cloud platforms. We showcase how current in situ visualization workflows can apply BeeFlow with DOE production codes VPIC and Flecsale.

Supercomputing centers are seeing increasing demand for user-defined software stacks (UDSS), instead of or in addition to the stack provided by the center. These UDSS support user needs such as complex dependencies or build requirements, externally required configurations, portability, and consistency. The challenge for centers is to provide these services in a usable manner while minimizing the risks: security, support burden, missing functionality, and performance. We present Charliecloud, which uses the Linux user and mount namespaces to run industry-standard Docker containers with no privileged operations or daemons on center resources. Our simple approach avoids most security risks while maintaining access to the performance and functionality already on offer, doing so in just 800 lines of code. Charliecloud promises to bring an industry-standard UDSS user workflow to existing, minimally altered HPC resources.