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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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At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Extending the Binomial Checkpointing Technique for Resilience

In terms of computing time, adjoint methods offer a very attractive alternative to compute gradient information, re- quired, e.g., for optimization purposes. However, together with this very favorable temporal complexity result comes a memory requirement that is in essence proportional with the operation count of the underlying function, e.g., if algo- rithmic differentiation is used to provide the adjoints. For this reason, checkpointing approaches in many variants have become popular. This paper analyzes an extension of the so-called binomial approach to cover also possible failures of the computing systems. Such a measure of precaution is of special interest for massive parallel simulations and adjoint calculations where the mean time between failure of the large scale computing system is smaller than the time needed to complete the calculation of the adjoint information. We de- scribe the extensions of standard checkpointing approaches required for such resilience, provide a corresponding imple- mentation and discuss numerical results.

Walther, Andrea↗
DOE OSTI2016

Covering Resilience: A Recent Development for Binomial Checkpointing

In terms of computing time, adjoint methods offer a very attractive alternative to compute gradient information, required, e.g., for optimization purposes. However, together with this very favorable temporal complexity result comes a memory requirement that is in essence proportional with the operation count of the underlying function, e.g., if algorithmic differentiation is used to provide the adjoints. For this reason, checkpointing approaches in many variants have become popular. This paper analyzes an extension of the so-called binomial approach to cover also possible failures of the computing systems. Such a measure of precaution is of special interest for massive parallel simulations and adjoint calculations where the mean time between failure of the large scale computing system is smaller than the time needed to complete the calculation of the adjoint information. We describe the extensions of standard checkpointing approaches required for such resilience, provide a corresponding implementation and discuss first numerical results.

Walther, Andrea↗
DOE OSTI2018

Realizing High-Performance Parallel Computing Final Report CRADA No. TC-0319-92

The objectives of this project were to improve the programming environment for scientific applications on shared-memory (SMP) and massively-parallel (MMP) computer systems and to develop high-performance, parallel rational drug design applications. The collaborators, IBM Corp., BioNumerik Pharmaceuticals (BNP), and Lawrence Livermore National Laboratory (LLNL), each brought unique expertise to the project. IBM contributed state-of-the-art SMP and MMP computer systems; BNP provided proprietary quantum mechanical and statistical mechanical molecular dynamics codes and experimental data; and LLNL contributed its high-performance Sisal compilers, runtime systems, and programming tools.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Institute for Sustained Performance, Energy, and Resilience (SUPER): University of Utah Final Report

Over the course of this project, computational scientists working on behalf of the Department of Energy's Office of Science (DOE SC) were exploiting a new generation of petascale computing resources to make previously inaccessible discoveries in a broad range of disciplines including physics, chemistry and material science. The computational systems underpinning this work increased in performance potential from tens to hundreds of Pflop/s, and evolved significantly from those in use at the beginning of the project in terms of available concurrency; wider use of accelerators such as graphics processing units(GPUs); and changes to the memory hierarchy including the incorporation of a new generation of persistent devices (e.g., phase change memory). To ensure that DOE's computational scientists can successfully exploit this emerging generation of high performance computing (HPC) systems, the University of Southern California (USC) assembled a broad team of computer scientists with the expertise to address the most pressing challenges of DOE's computing systems: (a) end-to-end performance optimization, including single-node performance, interprocessor communication, load balancing and I/O; (b) performance portability for heterogeneous systems, including accelerators; (c) minimizing energy consumption; (d) resilient computation; and, (e) exploiting new memory technology.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Analyzing a Five-Year Failure Record of a Leadership-Class Supercomputer

Extreme-scale computing systems are required to solve some of the grand challenges in science and technology. From astrophysics to molecular biology, supercomputers are an essential tool to accelerate scientific discovery. However, large computing systems are prone to failures due to their complexity. It is crucial to develop an understanding of how these systems fail to design reliable supercomputing platforms for the future. This paper examines a five-year failure and workload record of a leadership-class supercomputer. To the best of our knowledge, five years represents the vast majority of the lifespan of a supercomputer. This is the first time such analysis is performed on a top 10 modern supercomputer. We performed a failure categorization and found out that: i) most errors are GPU-related, with roughly 37% of them being double-bit errors on the cards; ii) failures are not evenly spread across the physical machine, with room temperature presumably playing a major role; and iii) software errors of the system bring down several nodes concurrently. Our failure rate analysis unveils that: i) the system consistently degrades, being at least twice as reliable at the beginning, compared to the end of the period; ii) Weibull distribution closely fits the mean-time-between-failure data; and iii) hardware and software errors show a markedly different pattern. Finally, we correlated failure and workload records to reveal that: i) failure and workload records are weakly correlated, except for certain types of failures when segmented by the hours of the day; ii) several categories of failures make jobs crash within the first minutes of execution; and iii) a significant fraction of failed jobs exhaust the requested time with a disregard of when the failure occurred during execution.

Rojas, Elvis↗
DOE OSTI2015

How Much Higher Can HTCondor Fly?

The HTCondor high throughput computing system is heavily used in the high energy physics (HEP) community as the batch system for several Worldwide LHC Computing Grid (WLCG) resources. Moreover, it is the backbone of GlidelnWMS, the pilot system used by the computing organization of the Compact Muon Solenoid (CMS) experiment. To prepare for LHC Run 2, we probed the scalability limits of new versions and configurations of HTCondor with a goal of reaching 200,000 simultaneous running jobs in a single internationally distributed dynamic pool.In this paper, we first describe how we created an opportunistic distributed testbed capable of exercising runs with 200,000 simultaneous jobs without impacting production. This testbed methodology is appropriate not only for scale testing HTCondor, but potentially for many other services. In addition to the test conditions and the testbed topology, we include the suggested configuration options used to obtain the scaling results, and describe some of the changes to HTCondor inspired by our testing that enabled sustained operations at scales well beyond previous limits.

Fajardo, E. M.↗
DOE OSTI2021

Position Papers for the ASCR Workshop on Reimagining Codesign

On behalf of the Advanced Scientific Computing Research (ASCR) program in the US Department of Energy (DOE) Office of Science, we are organizing a Workshop on Reimagining Codesign (ReCoDe). Codesign is the process of jointly designing interoperating components of a computing system—in particular: applications, algorithms, system software, programming models, and the hardware on which they run. The goal is to maximize the overall performance, efficiency, and other desirable qualities of the system as a whole. Codesign is a standard methodology in the embedded-systems community, where space, power, and cost constraints are commonly pitted against execution speed for a tightly constrained feature set. Over the last decade, the DOE has invested in codesign efforts to foster the development of exascale computing systems for broad classes of scientific and engineering applications. The ReCoDe workshop hopes to explore how scientific applications of interest to the DOE can be accelerated through close interactions with hardware designers and software-stack developers, in which all components adapt to each other’s requirements and constraints. We want to answer the question of what are the key tools and methodologies for accomplishing codesign in today’s computing landscape, and what will be the highest impact targets for meeting DOE’s emerging mission requirements. This workshop aims to bring together DOE, industry, and academia to identify opportunities to build on past codesign successes and identify new areas that are either emerging or that may need reimagining for the future. We want to continue to find opportunities that can be pursued as a joint effort and continue to break down the traditional customer/vendor dichotomy with true partnerships. From this work, DOE will benefit from increased application performance relative to what stock hardware or existing general-purpose roadmaps can provide, and vendors will benefit from expanding their hardware’s capabilities to address needs they might have not otherwise anticipated and thereby create more widespread interest in their products. The workshop will be structured around a set of breakout sessions, with every attendee expected to participate actively in the discussions. Afterward, workshop attendees—from DOE, industry, and academia—will produce a report for ASCR that summarizes the findings made during the workshop.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

The future of scientific workflows

Today’s computational, experimental, and observational sciences rely on computations that involve many related tasks. The success of a scientific mission often hinges on the computer automation of these workflows. In April 2015, the US Department of Energy (DOE) invited a diverse group of domain and computer scientists from national laboratories supported by the Office of Science, the National Nuclear Security Administration, from industry, and from academia to review the workflow requirements of DOE’s science and national security missions, to assess the current state of the art in science workflows, to understand the impact of emerging extreme-scale computing systems on those workflows, and to develop requirements for automated workflow management in future and existing environments. Here, this paper is a summary of the opinions of over 50 leading researchers attending this workshop. We highlight use cases, computing systems, workflow needs and conclude by summarizing the remaining challenges this community sees that inhibit large-scale scientific workflows from becoming a mainstream tool for extreme-scale science.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Enhancing Coherence Limits in Superconducting Quantum Systems for Computing and Sensing

This talk will highlight recent efforts at the SQMS Center to develop qudit-based quantum computing architectures using superconducting three-dimensional (3D) cavities, as well as the use of these ultra-coherent cavities for quantum sensing. I will present systematic studies of materials and devices aimed at identifying and mitigating the dominant sources of decoherence—including two-level systems (TLS), quasiparticles, and other noise mechanisms—in both transmons and 3D cavities. These investigations include microwave loss characterization of niobium, tantalum, aluminum, their native oxides, and substrate materials such as silicon and sapphire. By combining measurements on qubits and cavities, we disentangle subsystem-specific loss mechanisms and establish a hierarchy of mitigation strategies, leading to transmon coherence times exceeding one millisecond. I will also discuss studies of quasiparticle dynamics, including quasiparticle bursts observed in qubits operated both above ground and at the Gran Sasso underground laboratory, and the observation that applied magnetic fields can suppress temporal T₁ fluctuations. Building on these advances, we demonstrate a record-coherence two-cell cavity-qudit system with coherence times exceeding 20 milliseconds. Leveraging tunable sideband interactions together with error-resilient protocols, including measurement-based error correction and post-selection, we achieve high-fidelity quantum state control, including the preparation of Fock states up to N=20 with fidelities above 95% and the generation of high-fidelity two-mode entangled states. Finally, I will discuss how these ultra-coherent quantum systems are enabling emerging quantum sensing applications, including searches for dark matter and gravitational waves.

Roy, Tanay [Fermilab] (ORCID:000000019442862X)↗
DOE OSTI2024

Harness the Power of AI and CI/CD to Fuel Scientific Discovery

The "Harness the Power of AI and CI/CD to Fuel Scientific Discovery" project aims to enhance and automate critical scientific computing systems used in large-scale experiments like CMS at LHC and DUNE at Fermilab. By leveraging GlideinWMS and HEPCloud, this initiative focuses on developing containerized CI/CD pipelines, integrating AI for code quality improvement, and automating security verifications. Participants will gain hands-on experience with distributed computing systems and implement secure communications, contributing to real-world scientific progress and the open-source community.

Nurcellari, Tea↗
DOE OSTI2025

SAGIPS: a physics-inspired scalable asynchronous generative inverse-problem solver

Abstract Solving large-scale inverse problems using deep-learning algorithms have become an essential part of modern research and industrial applications. The complexity of the underlying inverse problem may require the utilization of high performance computing systems which poses a challenge on the algorithmic design of the inverse problem solver. Most deep learning algorithms require, due to their design, custom parallelization techniques in order to be resource efficient while showing a reasonable convergence. In this paper we introduce a S calable A synchronous G enerative I nverse P roblem S olver (SAGIPS) on high-performance computing systems. We present a workflow that utilizes an asynchronous ring-allreduce algorithm to transfer the gradients of the generator network across multiple GPUs. Experiments with a scientific proxy application demonstrate that SAGIPS shows near linear weak scaling, together with a convergence quality that is comparable to traditional methods. The approach presented here allows leveraging Generative Adverserial Network across multiple GPUs, promising advancements in solving complex inverse problems at scale.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A Flang Plugin for Fortran Feature Characterization

As new compute systems are developed, there is still a need to compile and execute codes authored in Fortran on these leading edge systems. In order to achieve this, development of compilers that support the latest hardware is continuously under development. Though the specification of Fortran is extensive, it is helpful to compiler authors to be able to prioritize the development of key features in order to get certain codes deemed important, e.g., applications of interest to leadership computing facilities, executable on leading edge compute systems. Identifying key features though is largely done through querying software experts or users of the Fortran applications of interest, who then manually report what features are and are not present. This exercise can both time consuming and error prone. To automate this process, we present a compiler plugin to Flang, the Fortran frontend for LLVM. This plugin is a tool that operates on the parse tree representation generated by Flang and detects key features based on walking parse tree nodes that correspond to features of interest. We show the result of our tool on four applications, three of which were manually profiled by software experts. We show the discrepancies between our tool and the manual characterization of the three applications, as well as generate a characterization for an application not yet profiled. We intend to open-source our tool in order to invite the community to benefit from the tool and make contributions for other features.

Cabrera, Anthony [ORNL]↗
DOE OSTI2018

Method and apparatus for selective and power-aware memory error protection and memory management

A method for providing selective memory error protection responsive to a predictable failure notification associated with at least one portion of a memory in a computing system includes: obtaining an active error correcting code (ECC) configuration corresponding to the portion of the memory; determining whether the active ECC configuration is sufficient to correct at least one error in the portion of the memory affected by the predictable failure notification; when the active ECC configuration is insufficient to correct the error, determining whether data corruption can be tolerated by an application running on the computing system; when data corruption cannot be tolerated by the application, determining whether a stronger ECC level is available and, if a stronger ECC level is available, increasing a strength of the active ECC configuration; and when data corruption can be tolerated, performing page reassignment and aggregation of non-critical data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

A Conceptual Architecture for a Quantum-HPC Middleware

Abstract-Quantum computing promises potential for science and industry by solving certain computationally complex problems faster than classical computers. Quantum computing systems evolved from coupled to classical computing nodes (HPC). With the increasing monolithic systems towards modular architectures comprising multiple quantum processing units (QPUs) scale, middleware systems that facilitate the efficient coupling of quantum-classical computing are becoming critical. Through an in-depth analysis of quantum applications, integration patterns and systems, we identified a gap in understanding Quantum HPC middleware systems. We present a conceptual middleware to facilitate reasoning about quantum-classical integration and serve as the basis for a future middleware system. An essential contribution of this paper lies in leveraging well-established high performance computing abstractions for managing workloads, tasks, and resources to integrate quantum computing into HPC systems seamlessly

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

MO-AB-204-04: Connectathons and Testing

You’ve experienced the frustration: vendor A’s device claims to work with vendor B’s device, but the practice doesn’t match the promise. Getting devices working together is the hidden art that Radiology and Radiation Oncology staff have to master. To assist with that difficult process, the Integrating the Healthcare Enterprise (IHE) effort was established in 1998, with the coordination of the Radiological Society of North America. Integrating the Healthcare Enterprise (IHE) is a consortium of healthcare professionals and industry partners focused on improving the way computer systems interconnect and exchange information. This is done by coordinating the use of published standards like DICOM and HL7. Several clinical and operational IHE domains exist in the healthcare arena, including Radiology and Radiation Oncology. The ASTRO-sponsored IHE Radiation Oncology (IHE-RO) domain focuses on radiation oncology specific information exchange. This session will explore the IHE Radiology and IHE RO process for; IHE solicitation process for new profiles. Improving the way computer systems interconnect and exchange information in the healthcare enterprise Supporting interconnectivity descriptions and proof of adherence by vendors Testing and assuring the vendor solutions to connectivity problems. Including IHE profiles in RFPs for future software and hardware purchases. Learning Objectives: Understand IHE role in improving interoperability in health care. Understand process of profile development and implantation. Understand how vendors prove adherence to IHE RO profiles. S. Hadley, ASTRO Supported Activity.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2016

MO-AB-204-00: Interoperability in Radiation Oncology: IHE-RO Committee Update

You’ve experienced the frustration: vendor A’s device claims to work with vendor B’s device, but the practice doesn’t match the promise. Getting devices working together is the hidden art that Radiology and Radiation Oncology staff have to master. To assist with that difficult process, the Integrating the Healthcare Enterprise (IHE) effort was established in 1998, with the coordination of the Radiological Society of North America. Integrating the Healthcare Enterprise (IHE) is a consortium of healthcare professionals and industry partners focused on improving the way computer systems interconnect and exchange information. This is done by coordinating the use of published standards like DICOM and HL7. Several clinical and operational IHE domains exist in the healthcare arena, including Radiology and Radiation Oncology. The ASTRO-sponsored IHE Radiation Oncology (IHE-RO) domain focuses on radiation oncology specific information exchange. This session will explore the IHE Radiology and IHE RO process for; IHE solicitation process for new profiles. Improving the way computer systems interconnect and exchange information in the healthcare enterprise Supporting interconnectivity descriptions and proof of adherence by vendors Testing and assuring the vendor solutions to connectivity problems. Including IHE profiles in RFPs for future software and hardware purchases. Learning Objectives: Understand IHE role in improving interoperability in health care. Understand process of profile development and implantation. Understand how vendors prove adherence to IHE RO profiles. S. Hadley, ASTRO Supported Activity.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

MO-AB-204-01: IHE RO Overview [Health Care]

You’ve experienced the frustration: vendor A’s device claims to work with vendor B’s device, but the practice doesn’t match the promise. Getting devices working together is the hidden art that Radiology and Radiation Oncology staff have to master. To assist with that difficult process, the Integrating the Healthcare Enterprise (IHE) effort was established in 1998, with the coordination of the Radiological Society of North America. Integrating the Healthcare Enterprise (IHE) is a consortium of healthcare professionals and industry partners focused on improving the way computer systems interconnect and exchange information. This is done by coordinating the use of published standards like DICOM and HL7. Several clinical and operational IHE domains exist in the healthcare arena, including Radiology and Radiation Oncology. The ASTRO-sponsored IHE Radiation Oncology (IHE-RO) domain focuses on radiation oncology specific information exchange. This session will explore the IHE Radiology and IHE RO process for; IHE solicitation process for new profiles. Improving the way computer systems interconnect and exchange information in the healthcare enterprise Supporting interconnectivity descriptions and proof of adherence by vendors Testing and assuring the vendor solutions to connectivity problems. Including IHE profiles in RFPs for future software and hardware purchases. Learning Objectives: Understand IHE role in improving interoperability in health care. Understand process of profile development and implantation. Understand how vendors prove adherence to IHE RO profiles. S. Hadley, ASTRO Supported Activity.

60 APPLIED LIFE SCIENCES↗