High Performance Computing User Group Meeting - June 11, 2025
INL HPC team provided updates related to the INL HPC program and HPC systems for HPC User Group Quarterly Review - June 11, 2025
99 - GENERAL AND MISCELLANEOUS↗
SEARCH · Engineering Papers
Results for “High performance Computing”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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PipeSight: A High-Performance Computing Platform for Pipeline Integrity Management
The Phase I feasibility study completed as part of this project has led to a number of innovative technologies being developed and has laid the foundation for a successful Phase II effort to commercialize a platform for managing the integrity of pipelines for the damage mechanisms of the new, hybrid-energy based economy. To ground the development efforts and direction of the project, an extensive market research and customer discovery effort was undertaken early in Phase I. Through this effort, a number of pipeline owners and operators were interviewed, and the following key findings were discovered about the pipeline industry: • Small pipeline operators do not have the central engineering groups necessary to perform their own independent analysis of inspection data, but instead rely on summarized tally sheets provided to them by inspection service providers. • The time it takes to go from an inspection to a completed engineering assessment, even for small segments of pipeline, can take anywhere from 30-120 days. During this delay, critical threats can (and have been known to) cause failures. • Uncertainty is often not accounted for in the assessment of pipeline integrity. The tally sheets provided by third-party service providers are almost always deterministic in nature, identifying threats that present a concern only to the current (not the future) integrity of the pipeline. • It is uncommon to apply the latest technologies to perform advanced assessments of damaged pipelines. There is a desire to use more advanced analysis capabilities to assess threats. Many pipeline operators indicated that they would often excavate a pipeline to perform an inspection and find that the damage was not as bad as they anticipated, thus using limited resources unnecessarily. Companies are not consistent in their use of inspection data to determine corrosion rates, and those that do only calculate deterministic corrosion rates. • The industry has prominently relied on time-based inspections but has recently started to transition to risk-based inspections. However, there appears to be no uniform guidance on how to do so while properly accounting for all sources of uncertainty. • Companies are not storing inspection data in a manner that allows for the ready determination of temporal trends. • Predictive maintenance principles and practices are beginning to be used by early adopters • Some pipelines are being re-purposed to transport different process fluids than they were designed for, e.g., H 2 and CO 2 rich process streams to serve the new hybrid-energy based economy, which are presenting new integrity concerns for the existing pipeline network that crisscrosses the United States. As a result of these discoveries, we were able to target the development efforts in Phase I to best serve the needs of the industry. In Phase I, we developed a way to correlate multiple large-scale scans of the pipeline to determine a probabilistic corrosion rate that accounts for all sources of error and uncertainty in the inspection process. This probabilistic corrosion rate can be used to predict the future thickness distribution of the pipe wall. We demonstrate how this analysis may be performed in an analytical fashion and has been implemented in such a manner that it can be readily distributed using GPU computing through integration of the Kokkos programming model. We also make a very novel extension of the analytical corrosion rate model to Bayesian Networks (an explainable AI technique) that can account for non-parametric distributions of corrosion rates. With the predictions made above for the probabilistic corrosion rate and corresponding future distribution of the pipe wall thickness, we can assess the integrity of the pipeline through the use of a probabilistic engineering assessment. We developed a novel screening data analysis approach that can rapidly identify ‘hotspots’ (local thin areas) where the integrity of the pipeline is a concern. Once more, we implemented this screening approach in C++ to leverage GPU computing via the Kokkos programming model. After the critical hotspots are identified, we developed a program that can automatically generate an advanced finite element model of the damaged regions. Since the number of damaged regions that require advanced analysis can number in the thousands, we integrated an open-source container-native workflow engine for orchestrating parallel jobs on the cloud. Initially, these advanced numerical models were only designed to account for loading due to internal pressure. However, in a slight pivot from the initial Phase I proposal, we developed a complete pipe stress analysis program (called Simflex) which can simulate the complete pipeline and its response to thermal expansion, pressure, thermal bowing, weight, wind, earthquake, support displacement, support friction and external forces. This pipe stress analysis program was written generically, to handle any piping system, but contains the features needed to model long pipelines (i.e., it incorporates a model for soil mechanics and can account for the nonlinear boundary conditions necessary to simulate long underground pipelines). This pipe stress analysis program can simulate any segment of the pipeline (simple or complex) under any set of conditions and loads, to determine the supplemental loads (axial forces and bending moments) at the location of damage. This enables the most accurate state of stress to be accounted for in the pipeline, which can prove critical when evaluating the integrity of a damaged region. In the process of developing the technologies to perform the integrity assessment of the pipeline, we also extended one of the industry standard approaches for performing the assessment of local thin areas that extend more in the circumferential direction than the longitudinal direction of the pipeline. This approach was presented to the API 579-1/AS ME FFS-1 steering committee in November 2021 for consideration in the next edition of the industry standard for Fitness-For-Service (expected to be released in 2023). To help pipeline operators make decisions with the results on any integrity assessment, we developed a new approach to the life-cycle management of pipelines which uses a Bayesian Decision Network. The network is designed to help pipeline operators plan and prioritize inspection activities and ultimately make smarter, more cost-effective decisions. The Bayesian approach accounts for all sources of uncertainty and carries them through to the final optimal decisions, providing a probabilistic framework for optimizing inspection intervals. The proof-of-concept networks developed in the feasibility study are complete, verified, and are focused on a subset of the pipeline. To expand this novel approach to the scale necessary for an entire network of pipelines in Phase II, we will leverage the DOE-funded Bengi solver for industrial-scale decision making with Bayesian Networks [22]. Once implemented, we will be able to provide the pipeline industry with a much-needed tool for optimal inspection planning using truly explainable artificial intelligence (XAI). To handle all of these advanced capabilities into a cloud-based platform, the architecture of the Equity Engineering Cloud (EEC) was extended to include Argo Workflows, a framework capable of distributing and managing a massive number of jobs that consume their own resources, such that thousands of serial finite element simulations can be run in parallel. As part of this substantial undertaking, we also integrated Argo Continuous Delivery (CD) into the EEC, to aid with the rapid prototyping and iterations that will be imperative to the success of the PipeSight platform’s Agile development process in Phase II. As part of the pipe stress analysis program, we also developed a custom visualizer that leverages the DOE-funded VTK visualization library. We added custom contouring capabilities and a means for interacting visually with both the inputs and outputs of the pipe stress analysis program. We also developed routines for automating the post-processing of the finite element simulations to determine if any failure criteria are met and to visualize the deformations, stresses and strains in ParaView using the exodus II file format (a subset of netCDF).
24 POWER TRANSMISSION AND DISTRIBUTION↗
Client/Server data serving for high performance computing
This paper will attempt to examine the industry requirements for shared network data storage and sustained high speed (10's to 100's to thousands of megabytes per second) network data serving via the NFS and FTP protocol suite. It will discuss the current structural and architectural impediments to achieving these sorts of data rates cost effectively today on many general purpose servers and will describe and architecture and resulting product family that addresses these problems. The sustained performance levels that were achieved in the lab will be shown as well as a discussion of early customer experiences utilizing both the HIPPI-IP and ATM OC3-IP network interfaces.
Wood, Chris↗
A High-Performance Computing Predictive GNSS Performance Monitor for Autonomous Air Vehicles in Urban Environments
This report offers analysis and design insights for leveraging High-Performance Computing (HPC) to predict line-of-sight (LOS) Global Navigation Satellite System (GNSS) availability in a city. This work is motivated by the emerging fields of Advanced and Urban Air Mobility (AAM/UAM), where regulatory authorities are seeking city-scale, meter-resolution risk forecasting in order to safely integrate new flight missions with existing urban life and infrastructure. This work addresses the technical challenge of efficiently computing urban GNSS satellite visibility to predict GNSS performance metrics under these requirements. We present a new HPC-optimized shadow casting algorithm variant as a ray-based approach to forecasting satellite visibility. We apply this algorithm variant in a software-defined prognostic service which generates a GNSS navigation risk-correlated map as a path planning-style potential field. We detail dominant computational burdens, viable simplifying assumptions, and different algorithmic implementations, intending to demonstrate a baseline of computation time needed by each stage in such a service. We conclude by analyzing the prototype service’s prediction accuracy compared to receiver data from Corpus Christi, Texas. This informs design trade-offs along the dimensions of hardware, computation time, and tolerable forecasting error (including proportions of false positives and false negatives).
GNSS↗
Accelerating Battery Simulations by Using High Performance Computing and Opportunities with Machine Learning
The US Department of Energy (DOE) estimates that the battery pack cost of $60 per kilowatt-hour while increasing the driving range to over 300 miles and vehicle charging under 15 min or less would enable mass penetration of electric vehicles in the USA by 2030. These projections are based on the currently available high-density cell chemistry combined with a system level design and optimized electrodes. Electrodes for current state-of-the-art lithium-ion cell technology are fabricated from electrode slurry comprising of active material, polymeric binder, and conductive diluent such as carbon black that are coated on metal current collectors such as copper and aluminum. Given these challenging requirements for development of electrical energy storage devices for future transportation needs, a predictive simulation capability which can accelerate design by considering performance and safety implications of different geometry, materials, and chemistry choices is required. In this chapter, we discuss our state-of-the-art three-dimensional modeling framework, providing examples on battery performance and safety simulations. We also present approaches to use machine learning in the context of large datasets that are becoming available.
Allu, Srikanth↗
A Perspective on Scalable AI on High-Performance Computing and Leadership Class Supercomputing Facilities [Industrial and Governmental Activities]
Many scientific applications that support the mission of the US Department of Energy (US-DoE) require modeling complex engineering and/or physical systems. Here, examples of such complex systems arise from: (a) materials science to develop new compounds with exceptional mechanical and thermodynamical properties (e.g., resistance to mechanical stresses and high temperatures), (b) structural and nuclear engineering to model the temporal evolution of the structural damage of concrete shields exposed to continuous neutron and gamma radiations emitted by the nuclear reactor core, (c) urban sciences (e.g., transportation and smart buildings), and (d) power grid systems.
97 MATHEMATICS AND COMPUTING↗
Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computers
The race to meet the challenges of the global pandemic has served as a reminder that the existing drug discovery process is expensive, inefficient and slow. There is a major bottleneck screening the vast number of potential small molecules to shortlist lead compounds for antiviral drug development. New opportunities to accelerate drug discovery lie at the interface between machine learning methods, in this case, developed for linear accelerators, and physics-based methods. The two in silico methods, each have their own advantages and limitations which, interestingly, complement each other. Here, we present an innovative infrastructural development that combines both approaches to accelerate drug discovery. The scale of the potential resulting workflow is such that it is dependent on supercomputing to achieve extremely high throughput. We have demonstrated the viability of this workflow for the study of inhibitors for four COVID-19 target proteins and our ability to perform the required large-scale calculations to identify lead antiviral compounds through repurposing on a variety of supercomputers.
97 MATHEMATICS AND COMPUTING↗
Novel usage of deep learning and high-performance computing in long-baseline neutrino oscillation experiments
Mención Internacional en el título de doctorDeep-learning methods are playing a crucial role in numerous scientific and industrialapplications. Over the past two decades, these techniques have helped in the collection,reconstruction, and analysis of large data samples in particle physics experiments. Themain topic of this PhD research is the study of deep-learning techniques in long-baselineneutrino oscillation experiments. Neutrinos are mysterious light elementary particles,and their investigation is essential to shed light on some of the remaining open questionsin physics. The work presented here describes an algorithm based on a convolutionalneural network developed to provide highly accurate and efficient selections of electronneutrino and muon neutrino interactions in the Deep Underground Neutrino Experiment(DUNE). With this algorithm, the electron neutrino (antineutrino) selection efficiencypeaks at 90% (94%) and exceeds 85% (90%) for reconstructed neutrino energies between2-5 GeV. The selection efficiency for muon neutrino (antineutrino) interactions is foundto have a maximum of 96% (97%) and exceeds 90% (95%) efficiency for reconstructedneutrino energies above 2 GeV. When considering all electron neutrino and antineutrinointeractions as signal (both those appearing from oscillations and those intrinsic tothe beam), a selection purity of 90% is achieved. These event selections are criticalto maximise the sensitivity of the experiment to CP-violating effects, key to furtherunderstand the matter-antimatter asymmetry of the Universe.In high-energy physics experiments, deep learning has also been explored for producingfast simulations and physically-motivated manipulations of simulated images. Some ofthose simulations, such as the light production and detection, are very computationallyexpensive and require novel methods to produce the necessary samples while controllingthe varied underlying physics model parameters. To do so, we invented the model-assistedgenerative adversarial network (MAGAN), first validated on simple generic case studiesand then successfully applied to the DUNE photon-detector simulation.Moreover, we also developed graph neural networks for 3D-voxel classification ofambiguities and optical crosstalk for a different particle physics experiment, most preciselyfor the proposed SuperFGD. This novel 3D-granular plastic-scintillator neutrino detectorwill be used to upgrade the near detector of the T2K neutrino oscillation experiment, and our method reports efficiencies and purities of 94-96% per event in the classificationof particle track voxels.Due to the growth and complexity of deep neural networks, researchers have beeninvestigating techniques to train those networks in a more computationally-efficient way.Many efforts have been made by the community to optimise deep-learning models byparallelising or distributing their training computation across multiple devices. In thisthesis, we study an approach based on data locality for those neural networks that cannotbenefit from scaling their computation due to a significant bottleneck in the data I/O.The research also includes a detailed study on the performance of deep neural networkson hardware accelerator boards.Los métodos de aprendizaje profundo son cada vez más utilizados en numerosas aplicacionescientíficas e industriales hoy en día. Durante las dos últimas décadas, estastécnicas se han empleado en la recolección, reconstrucción y análisis de la gran cantidadde datos generados por experimentos de física de partículas. El tema principal de estatesis doctoral es el uso de estos modelos de aprendizaje profundo en experimentos defísica de neutrinos, en concreto en los experimentos de larga distancia DUNE y T2K. Losneutrinos, partículas fundamentales neutras, de las más ligeras del Universo, pueden serclave para explicar algunas de las cuestiones todavía sin resolver en física fundamental.Entre las diferentes contribuciones que esta tesis ha hecho a su estudio, cabe destacar eldesarrollo de un algoritmo basado en una red de neuronas convolucional para seleccionarcon gran eficiencia y precisión las interacciones de neutrinos electrónicos y muónicos enel Deep Underground Neutrino Experiment (DUNE). La eficiencia de selección obtenidapara neutrinos (antineutrinos) electrónicos alcanza un máximo del 90% (94%) y supera el85% (90%) para neutrinos con energías reconstruidas en el rango 2-5 GeV. La selección deneutrinos (antineutrinos) muónicos tiene una eficiencia máxima del 96% (97%) y excedeel 90% (95%) para neutrinos con energías reconstruidas de más de 2 GeV. Considerandocomo señal todas las interacciones de neutrinos y antineutrinos electrónicos (procedentestanto de oscilaciones como intrínsecos en el haz inicial), se logra una pureza en la seleccióndel 90%. Dichas selecciones de eventos son fundamentales para maximizar la sensibilidaddel experimento a los efectos de violació...
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Lamellar: A Rust-based Asynchronous Tasking and PGAS Runtime for High Performance Computing
Cybersecurity is one of the largest concerns in modern computing, impacting and dictating how governments, private corporations, and individuals interact with and live in an increasingly digital world. The NSA has recently released a memo [ 1] on “Software Memory Safety” where they highlight that both Microsoft and Google have stated around 70% of software vulnerabilities were due to memory safety issues. Although languages such as C and C++ provide freedom and flexibility with memory management, guaran- teeing safety falls mostly on the developer. The NSA recommends using “memory safe” languages whenever possible. In this paper we introduce Lamellar, an asynchronous tasking and PGAS HPC runtime written in Rust, one such "memory safe" language. We describe the entire Lamellar stack, from network interfaces to high- level abstractions such as distributed LamellarArrays and Active Messages. We conclude by showing comparable performance to legacy PGAS runtimes (e.g. OpenSHMEM) on a subset of the BALE kernel suite while maintaining strong memory safety principles.
HPC Software Systems, Rust Programming Language, P↗
Full custom VLSI - A technology for high performance computing
Full custom VLSI is presented as a viable technology for addressing the need for the computing capabilities required for the real-time health monitoring of spacecraft systems. This technology presents solutions that cannot be realized with stored program computers or semicustom VLSI; also, it is not dependent on current IC processes. It is argued that, while design time is longer, full custom VLSI produces the fastest and densest VLSI solution and that high density normally also yields low manufacturing costs.
Maki, Gary K.↗
An efficient three-dimensional Poisson solver for SIMD high-performance-computing architectures
We present an algorithm that solves the three-dimensional Poisson equation on a cylindrical grid. The technique uses a finite-difference scheme with operator splitting. This splitting maps the banded structure of the operator matrix into a two-dimensional set of tridiagonal matrices, which are then solved in parallel. Our algorithm couples FFT techniques with the well-known ADI (Alternating Direction Implicit) method for solving Elliptic PDE's, and the implementation is extremely well suited for a massively parallel environment like the SIMD architecture of the MasPar MP-1. Due to the highly recursive nature of our problem, we believe that our method is highly efficient, as it avoids excessive interprocessor communication.
Cohl, H.↗
A History of High-Performance Computing
Faster than most speedy computers. More powerful than its NASA data-processing predecessors. Able to leap large, mission-related computational problems in a single bound. Clearly, it s neither a bird nor a plane, nor does it need to don a red cape, because it s super in its own way. It's Columbia, NASA s newest supercomputer and one of the world s most powerful production/processing units. Named Columbia to honor the STS-107 Space Shuttle Columbia crewmembers, the new supercomputer is making it possible for NASA to achieve breakthroughs in science and engineering, fulfilling the Agency s missions, and, ultimately, the Vision for Space Exploration. Shortly after being built in 2004, Columbia achieved a benchmark rating of 51.9 teraflop/s on 10,240 processors, making it the world s fastest operational computer at the time of completion. Putting this speed into perspective, 20 years ago, the most powerful computer at NASA s Ames Research Center, home of the NASA Advanced Supercomputing Division (NAS), ran at a speed of about 1 gigaflop (one billion calculations per second). The Columbia supercomputer is 50,000 times faster than this computer and offers a tenfold increase in capacity over the prior system housed at Ames. What s more, Columbia is considered the world s largest Linux-based, shared-memory system. The system is offering immeasurable benefits to society and is the zenith of years of NASA/private industry collaboration that has spawned new generations of commercial, high-speed computing systems.
Source record↗
COMET: A Domain-Specific Compilation of High-Performance Computational Chemistry
The computational power increases over the past decades have greatly enhanced the ability to simulate chemical reactions and understand ever more complex transformations. Tensor contractions are the fundamental computational building block of these simulations. These simulations have often been tied to one platform and restricted in generality by the interface provided to the user. The expanding prevalence of accelerators and researcher demands necessitate a more general approach which is not tied to specific hardware or requires contortion of algorithms to specific hardware platforms. In this paper we present COMET, a domain-specific programming language and compiler infrastructure for tensor contractions targeting heterogeneous accelerators. We present a system of progressive lowering through multiple layers of abstraction and optimization that achieves up to 1.98×speedup for 30 tensor contractions commonly used in computational chemistry and beyond.
Mutlu, Erdal↗
LM4HPC: Towards Effective Language Model Application in High-Performance Computing
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Computer science↗
Large-scale first-principles quantum transport simulations using plane wave basis set on high performance computing platforms
Not Available
Ye, Meng (ORCID:0000000308219042)↗
Seamless Communication Between High-Performance Computing System and Electron Microscopes for On-Demand Automated Data Transfer and Remote Control
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Mukherjee, Debangshu↗