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At least 37 records · Page 2

Benchmark Tracking System for Performance Monitoring

Benchmarking is essential for high-performance software development, particularly for monitoring performance across code iterations. This project focused on enhancing the benchmarking process for Lamellar, an asynchronous runtime for High-Performance Computing (HPC) systems developed at Pacific Northwest National Laboratory. Prior to this work, benchmark results were difficult to track and compare across code versions, presenting significant challenges in identifying performance regressions and long-term trends. The primary objective was to establish a systematic, reproducible approach for measuring performance and detecting regressions following code commits. Our methodology involved three key components: standardizing benchmark outputs, implementing data versioning, and developing analysis tools. We standardized the benchmark output format to JSON Line records containing specific fields (execution time, hardware specifications, and environmental variables). To address data management challenges, we evaluated several options and eventually chose a git repository dedicated to benchmark data. We developed a suite of Python tools that processed benchmark results, enriched them with metadata, and facilitated search in the repository. The resulting system enables more efficient filtering and comparison of performance metrics across commit histories, hardware configurations, and benchmark variants through a unified query interface. Our implementation reduces computational overhead by first checking for existing results through configuration matching before initiating new benchmark runs, thereby conserving resources. The system has been validated by Lamellar developers. It organizes results by benchmark type and build configurations for efficient retrieval. Future developments include a planned Large Language Model interface for predicting benchmark performance, incorporating the criterion package for statistical analysis, which will enable automated detection of statistically significant performance changes, and integration with continuous integration pipelines. Despite these enhancements being reserved for future work, this project has successfully provided the Lamellar development team with a framework for maintaining consistent performance standards and identifying optimization opportunities across workloads and hardware environments.

97 MATHEMATICS AND COMPUTING↗

Determining a Method of Enabling and Disabling the Integral Torque in the SDO Science and Inertial Mode Controllers

During design of the SDO Science and Inertial mode PID controllers, the decision was made to disable the integral torque whenever system stability was in question. Three different schemes were developed to determine when to disable or enable the integral torque, and a trade study was performed to determine which scheme to implement. The trade study compared complexity of the control logic, risk of not reenabling the integral gain in time to reject steady-state error, and the amount of integral torque space used. The first scheme calculated a simplified Routh criterion to determine when to disable the integral torque. The second scheme calculates the PD part of the torque and looked to see if that torque would cause actuator saturation. If so, only the PD torque is used. If not, the integral torque is added. Finally, the third scheme compares the attitude and rate errors to limits and disables the integral torque if either of the errors is greater than the limit. Based on the trade study results, the third scheme was selected. Once it was decided when to disable the integral torque, analysis was performed to determine how to disable the integral torque and whether or not to reset the integrator once the integral torque was reenabled. Three ways to disable the integral torque were investigated: zero the input into the integrator, which causes the integral part of the PID control torque to be held constant; zero the integral torque directly but allow the integrator to continue integrating; or zero the integral torque directly and reset the integrator on integral torque reactivation. The analysis looked at complexity of the control logic, slew time plus settling time between each calibration maneuver step, and ability to reject steady-state error. Based on the results of the analysis, the decision was made to zero the input into the integrator without resetting it. Throughout the analysis, a high fidelity simulation was used to test the various implementation methods.

Vess, Melissa F.↗

Simple, Secure, Internet Delivery of MOOSE-based Applications

Application packaging and distribution are the final steps for delivering software to end-users; both are frequently neglected when creating scientific software. Commercial businesses rely on electronic distribution systems that have rendered disk drives obsolete. Still, national laboratories continue to rely heavily on removable media to distribute and limit access to controlled applications. With increasing concerns of unauthorized copying of sensitive applications, a modern distribution system that utilizes cryptographically secure communication and authentication protocols has been developed. This new distribution system will secure the chain of custody for nuclear software while simultaneously simplifying access to these tools. This report summarizes four primary advancements made toward the secure distribution of Nuclear Energy Advanced Modeling and Simulation (NEAMS)-developed, Multiphysics Object Oriented Simulation Environment (MOOSE)-based applications: application installation, package distribution, automated package building, and distribution of documentation. NEAMS is currently developing more than ten separate applications based on the open-source MOOSE Framework. Distribution of these applications has primarily been accomplished by distributing source code, with end-users compiling the applications themselves. This work created a mechanism where MOOSE applications can be installed in a similar way to any other software. This allows both administrators and end-users simplified access to runnable executables. With this new installation capability, it was then possible to rethink distribution. A new, secure capability for delivering MOOSE-based applications over the internet has been created. This system requires unique cryptographic tokens for authentication, greatly securing the custody chain for software. Once granted access, installation of any NEAMS code can be accomplished with these terminal commands: "conda install ncrc" "ncrc install ncrc-bison." After these two commands (and authenticating) the BISON application will be securely down- loaded from Idaho National Laboratory (INL)’s servers, installed, and ready to use. To enable this new distribution capability to be successful, the open-source Continuous Integration, Verification, Enhancement, and Testing (CIVET) Continuous Integration (CI) capability was augmented to add Continuous Delivery (CD). CD enables the automated building and packaging of MOOSE-based applications as they are modified by development teams, ensuring that our customers can obtain up-to-date versions of the software at any time. The need for instruction on how to use these applications was addressed through modifications to the MOOSE documentation system. The MooseDocs capability, which enables robust documentation of MOOSE-based applications, has been extended to allow both for the installation of documentation and the packaging of documentation with installed applications. Together, these enhancements form the core of a new, secure distribution mechanism for nuclear simulation tools. In concert with the Nuclear Computational Resource Center (NCRC), NEAMS- developed applications will now be straightforward to obtain securely.

97 MATHEMATICS AND COMPUTING↗

Discrete integration of continuous Kalman filtering equations for time invariant second-order structural systems

A general form for the first-order representation of the continuous second-order linear structural-dynamics equations is introduced to derive a corresponding form of first-order continuous Kalman filtering equations. Time integration of the resulting equations is carried out via a set of linear multistep integration formulas. It is shown that a judicious combined selection of computational paths and the undetermined matrices introduced in the general form of the first-order linear structural systems leads to a class of second-order discrete Kalman filtering equations involving only symmetric sparse N x N solution matrices.

Park, K. C.↗

CI/CD Efforts for Validation, Verification and Benchmarking OpenMP Implementations

Software developers must adapt to keep up with the changing capabilities of platforms so that they can utilize the power of High-Performance Computers (HPC), including exascale systems. OpenMP, a directive-based parallel programming model, allows developers to include directives to existing C, C++, or Fortran code to allow node level parallelism without compromising performance. This paper describes our CI/CD efforts to provide easy evaluation of the support of OpenMP across different compilers using existing testsuites and benchmark suites on HPC platforms. Our main contributions include (1) the set of a Continuous Integration (CI) and Continuous Development (CD) workflow that captures bugs and provides faster feedback to compiler developers, (2) an evaluation of OpenMP (offloading) implementations supported by AMD, HPE, GNU, LLVM, and Intel, and (3) evaluation of the quality of compilers across different heterogeneous HPC platforms. With the comprehensive testing through the CI/CD workflow, we aim to provide a comprehensive understanding of the current state of OpenMP (offloading) support in different compilers and heterogeneous platforms consisting of CPUs and GPUs from NVIDIA, AMD, and Intel.

Jarmusch, Aaron↗

ACES: Infrastructure As Code. Model Optimization and Performance Capability

Infrastructure as Code (IaC) refers to managing infrastructure (networks, physical/virtual machines, storage, and connection topology) in a descriptive model/language, rather than configuring it manually or using interactive configuration tools. Just like source code can be compiled to generate the same binary code, IaC enables generating the same environment every time it is applied. IaC is a key DevOps practice and is generally used in conjunction with continuous integration (CI) and continuous delivery (CD). In CI, all code changes are merged into a mainline branch and validated multiple times a day as developers check in their changes to the source code. In CD on the other hand, code changes are automatically packaged for a new release-to-production on a regular basis. This typically enables teams to deliver software changes much more quickly and often. Developing and managing the ACES platform using (IaC) is vital for the robust deployment and continued sustainment of this foundational computing capability. IaC and DevOps practices will help us solve many of the common challenges often encountered in developing and maintaining compute infrastructure. First, it will make the provisioning, deployment, and maintenance of the compute infrastructure across multiple environments much more efficient. Second, these processes help make the overall system much more stable by continuously testing new changes as they are introduced to the system. Third, it allows us to be much more confident of the security controls in place since they can be tested as part of the CI process and all new changes can be audited and tracked. Finally, IaC enables the ACES Platform to be adaptable to the emerging technologies due to its ability to spin up different test beds to evaluate and incorporate these technologies. This document addresses common infrastructure-management challenges, describes what happens if they are not addressed, and highlights the value of utilizing IaC to tackle them. Finally, we will provide a high-level overview of the IaC and DevOps practices being utilized by the ACES Platform team.

97 MATHEMATICS AND COMPUTING↗

Fiscal Year 2025 Software Quality Assurance Activities for the ARC Software

The continued goal of the ARC SQA project in the Advanced Reactor Technologies program of DOE is to resolve the QA gaps for the ARC software that limit, or prevent, commercialization of the software for industry users. This project started in earnest in fiscal year 2023 which saw the entire code system moved from a SVN repository to a GitLab repository and an associated software quality assurance plan (SQAP) developed and ratified. Most of the QA gaps in the ARC software were identified in collaboration with industry partners and work begin in fiscal year 2023 and continued through 2024 and 2025. The continuous integration testing was extended to RCT, DASSH, and SE2ANL. Minor changes were required to the original continuous integration methodology to make this happen. When full confidence in the methodology is complete, a report will be created to detail the automated regression testing methodology and minor reports will be created to detail the tolerance settings that have been applied to the output for each ARC code. The primary documentation that is missing includes user manuals, user guides, software verification reports, and code coverage assessments. The DASSH, SE2ANL, and SE2RCT manuals were completed this fiscal year. A review of the SE2ANL software identified that it is unrealistic to include updated correlations or different geometry models and it was scheduled for deprecation in favor of DASSH. The SE2ANL manual is essential for SE2RCT as they are similar but quite different in purpose. The only piece of software missing a manual consistent with the source code is NUBOW-3D which is a focus of the coming year. The code coverage report for DIF3D was updated and code coverage reports were created for REBUS, RCT, PERSENT, GAMSRC, and DASSH. Minor coverage issues were identified for all of these pieces of software which did not prevent the work done to transition them to the OneAPI compiler. Because SE2ANL was scheduled for deprecation, it was not transitioned, but it was successfully tested with the OneAPI compiler. This leaves SE2RCT and NUBOW-3D as the only pieces of software not transitioned to OneAPI and further work is required to get SE2RCT to work properly. The SE2RCT software transition will begin early next year while the NUBOW-3D software requires a manual before it can begin. Software verification work has been completed for DIF3D, REBUS, GAMSOR, GAMSRC, VARPOW, EvaluateFlux, and SUMMAR. The PERSENT software verification work was completed this year which was somewhat delayed because of unexpected bugs in the software. The PERSENT manual was updated to detail some of the issues and discuss the bowing reactivity worth feature added in the previous fiscal year. The RCT, DASSH, SE2RCT, and NUBOW-3D software are the only maintained pieces of software without verification reports. The software verification work for DASSH will be a focus in the upcoming fiscal year and it is hoped that some of the test cases created can serve as verification tests for SE2RCT. The NUBOW-3D work will begin when the manual and requirements report are completed. Only minor industry partner software development funds were provided this year. The DASSH software was updated to handle general axial geometry for each assembly and the NUBOW-3D software was updated to incorporate a new input format and better output. Overall progress on resolving the QA gaps has been good this year.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Fiscal Year 2025 Software Quality Assurance Activities for the ARC Software

The continued goal of the ARC SQA project in the Advanced Reactor Technologies program of DOE is to resolve the QA gaps for the ARC software that limit, or prevent, commercialization of the software for industry users. This project started in earnest in fiscal year 2023 which saw the entire code system moved from a SVN repository to a GitLab repository and an associated software quality assurance plan (SQAP) developed and ratified. Most of the QA gaps in the ARC software were identified in collaboration with industry partners and work begin in fiscal year 2023 and continued through 2024 and 2025. The continuous integration testing was extended to RCT, DASSH, and SE2ANL. Minor changes were required to the original continuous integration methodology to make this happen. When full confidence in the methodology is complete, a report will be created to detail the automated regression testing methodology and minor reports will be created to detail the tolerance settings that have been applied to the output for each ARC code. The primary documentation that is missing includes user manuals, user guides, software verification reports, and code coverage assessments. The DASSH, SE2ANL, and SE2RCT manuals were completed this fiscal year. A review of the SE2ANL software identified that it is unrealistic to include updated correlations or different geometry models and it was scheduled for deprecation in favor of DASSH. The SE2ANL manual is essential for SE2RCT as they are similar but quite different in purpose. The only piece of software missing a manual consistent with the source code is NUBOW-3D which is a focus of the coming year. The code coverage report for DIF3D was updated and code coverage reports were created for REBUS, RCT, PERSENT, GAMSRC, and DASSH. Minor coverage issues were identified for all of these pieces of software which did not prevent the work done to transition them to the OneAPI compiler. Because SE2ANL was scheduled for deprecation, it was not transitioned, but it was successfully tested with the OneAPI compiler. This leaves SE2RCT and NUBOW-3D as the only pieces of software not transitioned to OneAPI and further work is required to get SE2RCT to work properly. The SE2RCT software transition will begin early next year while the NUBOW-3D software requires a manual before it can begin. Software verification work has been completed for DIF3D, REBUS, GAMSOR, GAMSRC, VARPOW, EvaluateFlux, and SUMMAR. The PERSENT software verification work was completed this year which was somewhat delayed because of unexpected bugs in the software. The PERSENT manual was updated to detail some of the issues and discuss the bowing reactivity worth feature added in the previous fiscal year. The RCT, DASSH, SE2RCT, and NUBOW-3D software are the only maintained pieces of software without verification reports. The software verification work for DASSH will be a focus in the upcoming fiscal year and it is hoped that some of the test cases created can serve as verification tests for SE2RCT. The NUBOW-3D work will begin when the manual and requirements report are completed. Only minor industry partner software development funds were provided this year. The DASSH software was updated to handle general axial geometry for each assembly and the NUBOW-3D software was updated to incorporate a new input format and better output. Overall progress on resolving the QA gaps has been good this year.

97 MATHEMATICS AND COMPUTING↗

Double Sided Si(Ge)/Sapphire/III-Nitride Hybrid Structure

One aspect of the present invention is a double sided hybrid crystal structure including a trigonal Sapphire wafer containing a (0001) C-plane and having front and rear sides. The Sapphire wafer is substantially transparent to light in the visible and infrared spectra, and also provides insulation with respect to electromagnetic radio frequency noise. A layer of crystalline Si material having a cubic diamond structure aligned with the cubic <111> direction on the (0001) C-plane and strained as rhombohedron to thereby enable continuous integration of a selected (SiGe) device onto the rear side of the Sapphire wafer. The double sided hybrid crystal structure further includes an integrated III-Nitride crystalline layer on the front side of the Sapphire wafer that enables continuous integration of a selected III-Nitride device on the front side of the Sapphire wafer.

Park, Yeonjoon↗

Method of Fabricating Double Sided Si(Ge)/Sapphire/III-Nitride Hybrid Structure

One aspect of the present invention is a double sided hybrid crystal structure including a trigonal Sapphire wafer containing a (0001) C-plane and having front and rear sides. The Sapphire wafer is substantially transparent to light in the visible and infrared spectra, and also provides insulation with respect to electromagnetic radio frequency noise. A layer of crystalline Si material having a cubic diamond structure aligned with the cubic <111> direction on the (0001) C-plane and strained as rhombohedron to thereby enable continuous integration of a selected (SiGe) device onto the rear side of the Sapphire wafer. The double sided hybrid crystal structure further includes an integrated III-Nitride crystalline layer on the front side of the Sapphire wafer that enables continuous integration of a selected III-Nitride device on the front side of the Sapphire wafer.

Park, Yeonjoon↗

Scaling a Podman Container Factory in the Cloud

This technical report describes an implementation of a scalable continuous integration/continuous deployment infrastructure using Microsoft Azure™ and GitLab™ resources. We utilize GitLab continuous integration podman executors to provide rootless container operations in both privileged and unprivileged modes of operation. We utilize the GitLab Fleeting plugin for Azure to manage the scaling of continuous integration execution resources. This creates a scalable, rootless, and isolate continuous integration/continuous deployment job execution infrastructure.

97 MATHEMATICS AND COMPUTING↗

Modification of a variational objective analysis model for new equations for pressure gradient and vertical velocity in the lower troposphere and for spatial resolution and accuracy of satellite data

Since late 1982 NASA has supported research to develop a numerical variational model for the diagnostic assimilation of conventional and space-based meteorological data. In order to analyze the model components, four variational models are defined dividing the problem naturally according to increasing complexity. The first of these variational models (MODEL I), the subject of this report, contains the two nonlinear horizontal momentum equations, the integrated continuity equation, and the hydrostatic equation. This report summarizes the results of research (1) to improve the way the large nonmeteorological parts of the pressure gradient force are partitioned between the two terms of the pressure gradient force terms of the horizontal momentum equations, (2) to generalize the integrated continuity equation to account for variable pressure thickness over elevated terrain, and (3) to introduce horizontal variation in the precision modulus weights for the observations.

Achtemeier, G. L.↗

Best practices in software development for robust and reproducible geoscientific models based on insights from the Global Carbon Budget's dynamic vegetation models

Computational models play an increasingly vital role in scientific research by enabling the numerical simulation of complex processes. Such models are also fundamental in geosciences. For instance, they offer critical insights into the impacts of global change on the Earth system today and in the future. Beyond their value as research tools, models are also software products and should therefore adhere to certain established software engineering standards. However, scientists are rarely trained as software developers, which can lead to potential deficiencies in software quality like unreadable, inefficient, or erroneous code. The complexity of models, coupled with their integration into broader workflows, also often makes it challenging to reproduce results, evaluate processes, and build upon them. In this paper, we review the state and current practices of the development processes of the state-of-the-art land surface models used by the Global Carbon Budget. We combine the experience of modelers from the respective research groups with the expertise of software engineers from tech companies to outline key principles and tools for improving software quality in research. We explore four main areas: (1) model testing and validation, (2) scientific, technical, and user documentation, (3) version control, continuous integration, and code review, and (4) the portability and reproducibility of workflows. Our review reveals that while modeling communities are incorporating many best practices, significant room for improvement remains in areas such as automated testing, automated documentation, and reproducibility. Therefore, we here identify and promote essential software engineering practices, including numerous examples of practices from within the community that can serve as guidelines for other models and could help streamline processes across the entire community. We conclude with an open-source example implementation of these principles, demonstrating portable and reproducible data flows, a continuous integration setup, and web-based visualizations. This example may serve as a practical resource for model developers, users, and all scientists engaged in scientific programming.

Gregor, Konstantin [Technical Univ. of Munich (Ger↗

UQpy v4.1: Uncertainty quantification with Python

This paper presents the latest improvements introduced in Version 4 of the UQpy, Uncertainty Quantification with Python, library. In the latest version, the code was restructured to conform with the latest Python coding conventions, refactored to simplify previous tightly coupled features, and improve its extensibility and modularity. To improve the robustness of UQpy, software engineering best practices were adopted. A new software development workflow significantly improved collaboration between team members, and continuous integration and automated testing ensured the robustness and reliability of software performance. Continuous deployment of UQpy allowed its automated packaging and distribution in system agnostic format via multiple channels, while a Docker image enables the use of the toolbox regardless of operating system limitations.

97 MATHEMATICS AND COMPUTING↗

Multi-Functional Smart Structures for Smart Vehicles

This report summarizes the development of a new class of recyclable multi-functional composite materials for production of lightweight smart structures and surfaces. Functional high stiffness conductive composites were processed using molding methods that integrated continuous fiber and additively manufactured features. Methods for integration of sensing functionality and controls were also developed to reduce system cost while providing a new capability for structural health monitoring. This new class of composites is applicable to a broad range of vehicle interior, exterior and battery enclosure systems. By way of demonstration, a vehicle instrument panel cross car beam was developed that provided a 38% mass savings compared to steel while maintaining a cost penalty competitive to alternate lightweight material solutions. These technologies were validated for implementation by a uniquely qualified project team comprising a US automotive OEM, Tier 1 and Tier 2 supplier, with key contributions from Oak Ridge National Lab, Purdue University and Michigan State University.

33 ADVANCED PROPULSION SYSTEMS↗

An Introduction to Flight Software Development: FSW Today, FSW 2010

Experience and knowledge gained from ongoing maintenance of Space Shuttle Flight Software and new development projects including Cockpit Avionics Upgrade are applied to projected needs of the National Space Exploration Vision through Spiral 2. Lessons learned from these current activities are applied to create a sustainable, reliable model for development of critical software to support Project Constellation. This presentation introduces the technologies, methodologies, and infrastructure needed to produce and sustain high quality software. It will propose what is needed to support a Vision for Space Exploration that places demands on the innovation and productivity needed to support future space exploration. The technologies in use today within FSW development include tools that provide requirements tracking, integrated change management, modeling and simulation software. Specific challenges that have been met include the introduction and integration of Commercial Off the Shelf (COTS) Real Time Operating System for critical functions. Though technology prediction has proved to be imprecise, Project Constellation requirements will need continued integration of new technology with evolving methodologies and changing project infrastructure. Targets for continued technology investment are integrated health monitoring and management, self healing software, standard payload interfaces, autonomous operation, and improvements in training. Emulation of the target hardware will also allow significant streamlining of development and testing. The methodologies in use today for FSW development are object oriented UML design, iterative development using independent components, as well as rapid prototyping . In addition, Lean Six Sigma and CMMI play a critical role in the quality and efficiency of the workforce processes. Over the next six years, we expect these methodologies to merge with other improvements into a consolidated office culture with all processes being guided by automated office assistants. The infrastructure in use today includes strict software development and configuration management procedures, including strong control of resource management and critical skills coverage. This will evolve to a fully integrated staff organization with efficient and effective communication throughout all levels guided by a Mission-Systems Architecture framework with focus on risk management and attention toward inevitable product obsolescence. This infrastructure of computing equipment, software and processes will itself be subject to technological change and need for management of change and improvement,

Gouvela, John↗