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Brim, Michael

Publications and source records attributed to Brim, Michael.

A Microservices Architecture Toolkit for Interconnected Science Ecosystems

Microservices architecture is a promising approach for developing reusable scientific workflow capabilities for inte- grating diverse resources, such as experimental and observational instruments and advanced computational and data management systems, across many distributed organizations and facilities. In this paper, we describe how the INTERSECT Open Architec- ture leverages federated systems of microservices to construct interconnected science ecosystems, review how the INTERSECT software development kit eases microservice capability develop- ment, and demonstrate the use of such capabilities for deploying an example multi-facility INTERSECT ecosystem.

Brim, Michael↗

OLCF’s Advanced Computing Ecosystem (ACE): FY24 Efforts for the DOE Integrated Research Infrastructure (IRI) Program

This report highlights significant strides made by Oak Ridge National Laboratory’s Oak Ridge Leadership Computing Facility (OLCF) in advancing computational research and infrastructure. Through the Advanced Computing Ecosystem (ACE) strategic initiative, OLCF has been successfully integrated with Doe’s Integrated Research Infrastructure (IRI) program, establishing itself as a critical framework for enhancing scientific computing capabilities across various domains. This report outlines the activities, accomplishments, and future directions of ACE, emphasizing its role in developing cutting-edge technologies, supporting science pilots, and fostering collaborations that drive scientific innovation.

97 MATHEMATICS AND COMPUTING↗

Empowering Scientific Innovation Through An Integrated Research Infrastructure: The Role of the Advanced Computing Ecosystem

As the landscape of computational science evolves, the Department of Energy (DOE) is reimagining the roles of its large-scale computing facilities to meet emerging research challenges. The Integrated Research Infrastructure (IRI) program aims to transform how experiments are designed, conducted, and shared, with significant impacts on all stakeholders. In response, the Oak Ridge Leadership Computing Facility (OLCF) has established the Advanced Computing Ecosystem (ACE), a strategic framework to prepare its hardware, software, and experimental capabilities for the IRI era. ACE focuses on integrating novel compute environments, orchestrating advanced workflows, and developing foundational technologies, ensuring a seamless transition to IRI while accelerating scientific discovery. This paper outlines ACE's role in advancing OLCF's mission and its impact on the future of computational science.

Widener, Patrick↗

A Cast of Thousands: How the IDEAS Productivity Project Has Advanced Software Productivity and Sustainability

Computational and data-enabled science and engineering are revolutionizing advances throughout science and society, at all scales of computing. For example, teams in the U.S. Department of Energy’s Exascale Computing Project have been tackling new frontiers in modeling, simulation, and analysis by exploiting unprecedented exascale computing capabilities—building an advanced software ecosystem that supports next-generation applications and addresses disruptive changes in computer architectures. However, concerns are growing about the productivity of the developers of scientific software. Members of the Interoperable Design of Extreme-scale Application Software project serve as catalysts to address these challenges through fostering software communities, incubating and curating methodologies and resources, and disseminating knowledge to advance developer productivity and software sustainability. This article discusses how these synergistic activities are advancing scientific discovery—mitigating technical risks by building a firmer foundation for reproducible, sustainable science at all scales of computing, from laptops to clusters to exascale and beyond.

97 MATHEMATICS AND COMPUTING↗

Best practices for documenting a scientific Python project

Documentation is a crucial component of software development that helps users with installation and usage of the software. Documentation also helps onboard new developers to a software project with contributing guidelines and API information. The INTERSECT project is an open federated hardware/software library to facilitate the development of au- tonomous laboratories. A documentation strategy using Sphinx has been utilized to help developers contribute to source code and to help users understand the INTERSECT Python interface. Docstrings as well as reStructuredText files are used by Sphinx to automatically compile HTML and PDF files which can be hosted online as API documentation and user guides. The resulting documentation website is automatically built and deployed using GitLab runners to create Docker containers with NGINX servers. The approach discussed in this paper to automatically deploy documentation for a Python project can improve the user and developer experience for many scientific projects.

Wiggins, Gavin↗

Leveraging Single-Page Applications for Seamless Scientific Workflows: DevSecOps Considerations

Single-page applications (SPAs) have become indispensable in modern frontend development, with widespread adoption in scientific applications. The process of creating a single-page web application development environment which accurately reflects the production environment isn’t always straightforward. Most SPA build systems assume configuration at build time, while DevSecOps engineers prefer runtime configuration. This paper suggests a framework-agnostic approach to address issues that encompass both development and deployment, but are difficult to tackle without knowledge in both domains.

Drane, Lance↗

Enabling Interconnected Science Workflows through an Adapter Approach

The INTERSECT Software framework project aims to create an open federated library that connects, coordinates, and controls systems in the scientific domain. It features the Adapter, a flexible and extensible interface inspired by the Adapter design pattern in object-oriented programming. By utilizing Adapters, the INTERSECT SDK enables effective communication and coordination within a diverse ecosystem of systems. This adaptability facilitates the execution of complex operations within the framework, promoting collaboration and efficient workflow management in scientific research. Additionally, the generalizability of Adapters and their patterns enhances their utility in other scientific software projects and challenges.

McGaha, Jesse↗

Frontier: Exploring Exascale

As the US Department of Energy (DOE) computing facilities began deploying petascale systems in 2008, DOE was already setting its sights on exascale. In that year, DARPA published a report on the feasibility of reaching exascale. The report authors identified several key challenges in the pursuit of exascale including power, memory, concurrency, and resiliency. That report informed the DOE's computing strategy for reaching exascale. With the deployment of Oak Ridge National Laboratory's Frontier supercomputer, we have officially entered the exascale era. In this paper, we discuss Frontier's architecture, how it addresses those challenges, and describe some early application results from Oak Ridge Leadership Computing Facility's Center of Excellence and the Exascale Computing Project.

Atchley, Scott {Leadership Computing}↗

UnifyFS: A User-level Shared File System for Unified Access to Distributed Local Storage

We introduce UnifyFS, a user-level file system that aggregates node-local storage tiers available on high performance computing (HPC) systems and makes them available to HPC applications under a unified namespace. UnifyFS employs transparent I/O interception, so it does not require changes to application code and is compatible with commonly used HPC I/O libraries. The design of UnifyFS supports the predominant HPC I/O workloads and is optimized for bulk-synchronous I/O patterns. Furthermore, UnifyFS provides customizable file system semantics to flexibly adapt its behavior for diverse I/O workloads and storage devices. In this paper, we discuss the unique design goals and architecture of UnifyFS and evaluate its performance on a leadership-class HPC system. In our experimental results, we demonstrate that UnifyFS exhibits excellent scaling performance for write operations and can improve the performance of application checkpoint operations by as much as 3× versus a tuned configuration.

Brim, Michael↗

High Performance Computing Facility Operational Assessment 2022: Oak Ridge Leadership Computing Facility

The Oak Ridge Leadership Computing Facility (OLCF) was established to accelerate scientific discovery by providing world-leading computational performance and advanced data infrastructure. As a US Department of Energy (DOE) Office of Science user facility, the OLCF has managed the successful deployment and operation of a succession of leadership-class resources dedicated to open science. In addition to these resources, the OLCF staff continually strive to develop innovative processes and technologies, improve security, and empower users through allocation management and comprehensive user support and training. These efforts support the advancement of science by the OLCF users and benefit high-performance computing (HPC) facilities around the world. In calendar year (CY) 2022, the OLCF supported 1,681 users and 570 projects and exceeded all targets for user satisfaction. The facility received an average satisfaction score of 4.6 out of 5 on the annual user survey, and 96% of respondents reported a high satisfaction rate with the OLCF overall. Of the 3,212 user tickets submitted in CY 2022, OLCF staff resolved 97% within 3 business days. The facility also introduced several new services for users this year, including weekly virtual office hours with subject matter experts from ORNL and vendor partners; new views in MyOLCF that allow users to analyze allocation and compute usage for a project; the ability to build and run containers on Summit; and improved data visualization support and training resources.

97 MATHEMATICS AND COMPUTING↗

The INTERSECT Open Federated Architecture for the Laboratory of the Future

A federated instrument-to-edge-to-center architecture is needed to autonomously collect, transfer, store, process, curate, and archive scientific data and reduce human-in-the-loop needs with (a) common interfaces to leverage community and custom software, (b) pluggability to permit adaptable solutions, reuse, and digital twins, and (c) an open standard to enable adoption by science facilities world-wide. The Selfdriven Experiments for Science/Interconnected Science Ecosystem (INTERSECT) Open Architecture enables science breakthroughs using intelligent networked systems, instruments and facilities with autonomous experiments, “self-driving” laboratories, smart manufacturing and artificial intelligence (AI) driven design, discovery and evaluation. It creates an open federated architecture for the laboratory of the future using a novel approach, consisting of (1) science use case design patterns, (2) a system of systems architecture, and (3) a microservice architecture.

Engelmann, Christian↗

Scaling the Summit: Deploying the World's Fastest Supercomputer

Summit, the latest flagship supercomputer deployed at Oak Ridge Leadership Computing Facility (OLCF), became the number one system in the Top500 list in June 2018 and remains in the top spot in the most recent edition of the list. An extensive acceptance test plan was developed to evaluate the unique features introduced in the Summit architecture and system software stack. The acceptance test also includes tests to ensure that the system is reliable, stable, and performant.

Melesse Vergara, Veronica↗