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At least 649 records · Page 36

2019 Budget Request for the DOE Computational Science Graduate Fellowship (CSGF) Grant

The Department of Energy Computational Science Graduate Fellowship (DOE CSGF) is necessary to meet the continual challenging national workforce needs that arise as computational science and engineering problems continue to grow in scope and complexity. Computational science and engineering (CSE) is a multidisciplinary approach that uses scientific computing to solve practical problems methods and to supply technical tools across the scientific discovery spectrum. In particular, the DOE CSGF emphasizes high-performance computing (HPC) that enables CSE that advances science and engineering in directions important to the DOE and the economy in general. Over the past half-century, HPC has been an essential tool for DOE’s success. During this period, important missions, such as nuclear stockpile stewardship, have turned to HPC as an essential technology. Entire science disciplines, such as biology and cosmology, have been transformed through the augmentation of scientific observation via HPC. At government laboratories and in industry, DOE CSGF alumni are helping push traditional HPC boundaries while contributing to discoveries in high-energy physics, renewable energy, fusion-reactor design, additive manufacturing, nanomaterials for next-generation batteries and transistors, and turbine and advanced nuclear reactor modeling. In addition, HPC is used to address national health needs that will eventually point to cures both by helping cancer researchers manage and analyze huge troves of data, by simulating biological mechanisms, and by accelerating drug development — including continuing to rise to the challenge of pandemic-related research. A 2023 report from the ASCAC Subcommittee on American Competitiveness and Innovation to the ASCR office, “Can the United States Maintain Its Leadership in High-Performance Computing?” says of the Program, “The CSGF program provides a barometer for disciplines that will be of interest to future DOE computing.” An explosion in scientific and technological data has driven the need for increasingly sophisticated HPC to transform those data into scientific understanding. With access to more and more data and the proliferation of HPC, Machine Learning and Artificial Intelligence are experiencing a renaissance, complementing the now well-established use of computational simulation. Indeed, in its September 2020 subcommittee report on “AI/ML, Data Intensive Science and High-Performance Computing”, the DOE Advanced Scientific Computing Advisory Committee (ASCAC) explicitly called for a fellowship program to train computational and data scientists to tackle exascale and data-intensive computing challenges. This collaboration of empirical and theory-based modeling will increasingly inform federal policymakers whose decisions affect American society and future generations, and it requires highly skilled and intellectually agile computational scientists who can support the fast-moving DOE National Laboratory research environment. In fact, the DOE CSGF program has explicitly and consistently addressed this need.

97 MATHEMATICS AND COMPUTING↗

PQML: Enabling the Predictive Reproducibility on NISQ Machines for Quantum ML Applications

Quantum computing represents a groundbreaking approach to high-performance computing. In recent years, quantum computers have progressed from single-qubit processors to systems boasting over 400 qubits. The presence of such a large number of qubits offers significant advantages, including enhanced computational speed—a capability beyond classical computing methods. However, the current stage of quantum computing is referred to as the noisy intermediate-scale quantum (NISQ) era. The existence of noise in this era presents challenges in testing quantum computing applications, leading to considerable variance in application results. Furthermore, the diverse noise characteristics observed across different machines exacerbate this issue, complicating the selection of the appropriate machine for application execution. In response to these challenges, we introduce our Predictive Quantum Machine Learning (PQML) tool. This tool is designed to predict outcomes when executing identical quantum machine learning applications—specifically, a critical suite of variational quantum algorithms—across various quantum computers during the NISQ era. This effort relies on data collected over a 12-month period. To the best of our knowledge, this study represents the first attempt to ensure reproducibility across quantum computers for complex circuits. Additionally, we have developed a model capable of forecasting the accuracy of quantum computers for variational quantum algorithms, with a particular emphasis on quantum machine learning as a case study.

Senapati, Priyabrata [Kent State University]↗

BEAM: A Computational Workflow System for Managing and Modeling Material Characterization Data in HPC Environments

Improvements in scientific instrumentation allow imaging at mesoscopic to atomic length scales, many spectroscopic modes, and now—with the rise of multimodal acquisition systems and the associated processing capability—the era of multidimensional, informationally dense data sets has arrived. Technical issues in these combinatorial scientific fields are exacerbated by computational challenges best summarized as a necessity for drastic improvement in the capability to transfer, store, and analyze large volumes of data. The Bellerophon Environment for Analysis of Materials (BEAM) platform provides material scientists the capability to directly leverage the integrated computational and analytical power of High Performance Computing (HPC) to perform scalable data analysis and simulation via an intuitive, cross-platform client user interface. This framework delivers authenticated, “push-button” execution of complex user workflows that deploy data analysis algorithms and computational simulations utilizing the converged compute-and-data infrastructure at Oak Ridge National Laboratory's (ORNL) Compute and Data Environment for Science (CADES) and HPC environments like Titan at the Oak Ridge Leadership Computing Facility (OLCF). In this work we address the underlying HPC needs for characterization in the material science community, elaborate how BEAM's design and infrastructure tackle those needs, and present a small sub-set of user cases where scientists utilized BEAM across a broad range of analytical techniques and analysis modes.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Reducing the Time and Cost of Testing Engines

Producing a new aircraft engine currently costs approximately $1 billion, with 3 years of development time for a commercial engine and 10 years for a military engine. The high development time and cost make it extremely difficult to transition advanced technologies for cleaner, quieter, and more efficient new engines. To reduce this time and cost, NASA created a vision for the future where designers would use high-fidelity computer simulations early in the design process in order to resolve critical design issues before building the expensive engine hardware. To accomplish this vision, NASA's Glenn Research Center initiated a collaborative effort with the aerospace industry and academia to develop its Numerical Propulsion System Simulation (NPSS), an advanced engineering environment for the analysis and design of aerospace propulsion systems and components. Partners estimate that using NPSS has the potential to dramatically reduce the time, effort, and expense necessary to design and test jet engines by generating sophisticated computer simulations of an aerospace object or system. These simulations will permit an engineer to test various design options without having to conduct costly and time-consuming real-life tests. By accelerating and streamlining the engine system design analysis and test phases, NPSS facilitates bringing the final product to market faster. NASA's NPSS Version (V)1.X effort was a task within the Agency s Computational Aerospace Sciences project of the High Performance Computing and Communication program, which had a mission to accelerate the availability of high-performance computing hardware and software to the U.S. aerospace community for its use in design processes. The technology brings value back to NASA by improving methods of analyzing and testing space transportation components.

Source record↗

Signal and Power Integrity Design Methodology for High-Performance Flight Computing Systems

Computing capabilities of space systems have in-creased onboard performance by orders of magnitude with the use of radiation-tolerant field-programmable gate arrays (FPGA)and processors. The incorporation of signal and power integrity analysis with printed circuit board (PCB) design in reliable computing architectures for space systems has become critical to enable future mission capabilities. Developers launch high-performance processors into a breadth of orbits and missions, running varying applications that create challenges for designing reliable computing hardware. Specifically, for these designs, academic and industry research has focused on component radiation performance, fault mitigation, and reliable architectures. How-ever, other design parameters including electromagnetic interference (EMI), PCB stackup, signal integrity (SI), voltage regulator module (VRM) design, and power distribution network (PDN)are often deprioritized or disregarded as the design matures. Since these characteristics are becoming more significant in high-performance processor designs, this research presents a hardware design and analysis methodology for high-performance, space-computing systems that focuses on a holistic design approach and PDN reliability. While these challenges exist across all space hardware, the reduced PCB dimensions imposed by SmallSats and CubeSats introduce additional hurdles, specifically to VRM and decoupling design. By examining the relationship between the PDN and radiation performance, an analytical relationship is developed that incorporates Total Ionizing Dose and Single-Event Transients to ensure reliability throughout the mission duration. The presented design methodology is applied to the SpaceCube v3.0 Mini, an FPGA-based on-board science data processing system developed at NASA Goddard Space Flight Center.

Advanced avionics↗

Human factors with nonhumans - Factors that affect computer-task performance

There are two general strategies that may be employed for 'doing human factors research with nonhuman animals'. First, one may use the methods of traditional human factors investigations to examine the nonhuman animal-to-machine interface. Alternatively, one might use performance by nonhuman animals as a surrogate for or model of performance by a human operator. Each of these approaches is illustrated with data in the present review. Chronic ambient noise was found to have a significant but inconsequential effect on computer-task performance by rhesus monkeys (Macaca mulatta). Additional data supported the generality of findings such as these to humans, showing that rhesus monkeys are appropriate models of human psychomotor performance. It is argued that ultimately the interface between comparative psychology and technology will depend on the coordinated use of both strategies of investigation.

Washburn, David A.↗

Enabling Reliable, Fault-Tolerant Autonomous Lunar Habitats with High-Performance Spaceflight Computing

The lunar surface presents unfavorable constraints and harsh living conditions. To address these challenges, autonomous habitats will require complex integrated systems that combine advanced software, high-performance hardware, and cutting-edge sensors to ensure sustainability, safety, and operational efficiency. Consequently, maintaining a sustainable presence on the Moon requires reliable infrastructure and efficient development, precise monitoring, and utilization of resources within a lunar installation. These elements are essential not only to ensure that lunar settlement can be long-term, self-sustaining, and resource-efficient, but also to serve as a foundation for future missions and eventual human habitation on Mars. Humans are not native to the Moon; therefore, our survival and ability to thrive will depend on autonomous systems that can foster safety and resilience through high-availability architectures, graceful degradation, and highly fault-tolerant spaceflight hardware capable of continuing operation during failures. This requires advanced human-rated distributed systems architectures with specialized electronics, scalable capabilities, and an integrated design approach. Unlike current practices focused on short-term missions and regularly maintained components, permanent lunar compute systems must be designed for extended operations beyond mission durations. This paper explores the necessity of transitioning toward fault- tolerant, highly autonomous hardware systems designed for multi-year missions. It also identifies critical subsystems that require high levels of autonomy, supported by radiation-hardened processors and extreme thermal loads, which are essential to mitigate long-term degradation and ensure sustainable lunar habitation. Finally, the paper aligns with NASA’s identified Civil Space Shortfalls, particularly in high-performance onboard computing, advanced data acquisition, extreme-environment avionics, radiation monitoring and countermeasures, and autonomous health management. It proposes NASA’s new High-Performance Spaceflight Computing (HPSC) processor as a turnkey solution, delivering 100 times the performance-per-watt of legacy rad-hard CPUs and enabling onboard AI, edge computing, and fault-tolerant features essential for sustained lunar autonomy and beyond.

Sarkis S Mikaelian↗

2000 Numerical Propulsion System Simulation Review

The technologies necessary to enable detailed numerical simulations of complete propulsion systems are being developed at the NASA Glenn Research Center in cooperation with industry, academia, and other government agencies. Large scale, detailed simulations will be of great value to the nation because they eliminate some of the costly testing required to develop and certify advanced propulsion systems. In addition, time and cost savings will be achieved by enabling design details to be evaluated early in the development process before a commitment is made to a specific design. This concept is called the Numerical Propulsion System Simulation (NPSS). NPSS consists of three main elements: (1) engineering models that enable multidisciplinary analysis of large subsystems and systems at various levels of detail, (2) a simulation environment that maximizes designer productivity, and (3) a cost-effective. high-performance computing platform. A fundamental requirement of the concept is that the simulations must be capable of overnight execution on easily accessible computing platforms. This will greatly facilitate the use of large-scale simulations in a design environment. This paper describes the current status of the NPSS with specific emphasis on the progress made over the past year on air breathing propulsion applications. Major accomplishments include the first formal release of the NPSS object-oriented architecture (NPSS Version 1) and the demonstration of a one order of magnitude reduction in computing cost-to-performance ratio using a cluster of personal computers. The paper also describes the future NPSS milestones, which include the simulation of space transportation propulsion systems in response to increased emphasis on safe, low cost access to space within NASA'S Aerospace Technology Enterprise. In addition, the paper contains a summary of the feedback received from industry partners on the fiscal year 1999 effort and the actions taken over the past year to respond to that feedback. NPSS was supported in fiscal year 2000 by the High Performance Computing and Communications Program.

Lytle, John↗

2001 Numerical Propulsion System Simulation Review

The technologies necessary to enable detailed numerical simulations of complete propulsion systems are being developed at the NASA Glenn Research Center in cooperation with industry, academia and other government agencies. Large scale, detailed simulations will be of great value to the nation because they eliminate some of the costly testing required to develop and certify advanced propulsion systems. In addition, time and cost savings will be achieved by enabling design details to be evaluated early in the development process before a commitment is made to a specific design. This concept is called the Numerical Propulsion System Simulation (NPSS). NPSS consists of three main elements: (1) engineering models that enable multidisciplinary analysis of large subsystems and systems at various levels of detail, (2) a simulation environment that maximizes designer productivity, and (3) a cost-effective, high-performance computing platform. A fundamental requirement of the concept is that the simulations must be capable of overnight execution on easily accessible computing platforms. This will greatly facilitate the use of large-scale simulations in a design environment. This paper describes the current status of the NPSS with specific emphasis on the progress made over the past year on air breathing propulsion applications. Major accomplishments include the first formal release of the NPSS object-oriented architecture (NPSS Version 1) and the demonstration of a one order of magnitude reduction in computing cost-to-performance ratio using a cluster of personal computers. The paper also describes the future NPSS milestones, which include the simulation of space transportation propulsion systems in response to increased emphasis on safe, low cost access to space within NASA's Aerospace Technology Enterprise. In addition, the paper contains a summary of the feedback received from industry partners on the fiscal year 2000 effort and the actions taken over the past year to respond to that feedback. NPSS was supported in fiscal year 2001 by the High Performance Computing and Communications Program.

Lytle, John↗

RSE-Ops

If DevOps is the intersection of "Developer" and "Operations," then how does this concept map to high performance computing? The answer is RSE-ops, or the intersection of Research Software Engineering and Operations. Research Software Engineers (RSEs) are the individuals writing code for scientific software, and supporting researchers to use codes on high performance computing systems. RSE-ops, then, generally refers to best practices for development and operations of scientific software, which typically happens in a high performance computing environment. A comparison can be made to Cloud Native Devops, which is a similar term that has emerged around Cloud Native Computing. It refers to the application of DevOps practices to the cloud.

97 MATHEMATICS AND COMPUTING↗

[Earth and Space Sciences Project Services for NASA HPCC]

This grant supported the effort to characterize the problem domain of the Earth Science Technology Office's Computational Technologies Project, to engage the Beowulf Cluster Computing Community as well as the High Performance Computing Research Community so that we can predict the applicability of said technologies to the scientific community represented by the CT project and formulate long term strategies to provide the computational resources necessary to attain the anticipated scientific objectives of the CT project. Specifically, the goal of the evaluation effort is to use the information gathered over the course of the Round-3 investigations to quantify the trends in scientific expectations, the algorithmic requirements and capabilities of high-performance computers to satisfy this anticipated need.

Merkey, Phillip↗

[Earth Science Technology Office's Computational Technologies Project]

This grant supported the effort to characterize the problem domain of the Earth Science Technology Office's Computational Technologies Project, to engage the Beowulf Cluster Computing Community as well as the High Performance Computing Research Community so that we can predict the applicability of said technologies to the scientific community represented by the CT project and formulate long term strategies to provide the computational resources necessary to attain the anticipated scientific objectives of the CT project. Specifically, the goal of the evaluation effort is to use the information gathered over the course of the Round-3 investigations to quantify the trends in scientific expectations, the algorithmic requirements and capabilities of high-performance computers to satisfy this anticipated need.

Fischer, James↗

High Performance Space Computing with System-on-Chip Instrument Avionics for Space-based Next Generation Imaging Spectrometers (NGIS).

The emergent technology of system-on-chip (SoC) devices promises lighter, smaller, cheaper, and more capable and reliable space electronic systems that could help to unveil some of the most treasured secrets in our universe. This technology is an improvement over the technology that is currently used in space applications, which lags behind stateof-the-art commercial-off-the-shelf (COTS) equipment by several generations. SoC technology integrates all computational power required by next-generation space exploration science instruments onto a single chip. This presentation will describe a Xilinx Zynq-based data acquisition, cloud-screening and compression computing system that has been developed at the Jet Propulsion Laboratory (JPL) for JPL’s Next Generation Imaging Spectrometers (NGIS). The Xilinx Zynq-based Alpha Data hardware assembly fits into a 120mm by 190m by 40mm assembly and uses 9 watts at peak performance. The computing element is a Xilinx Zynq Z7045Q which includes a Kintex-7 FPGA (equivalent to 3 RAD Virtex5 FPGAs in terms of logic cell resources) and dual-core ARM Cortex-A9 Processors (equivalent to 10 RAD750 Power PCs in term of processing capability).

Smith, Adam↗

High Performance Space Computing with System-on-Chip Instrument Avionics for Space-based Next Generation Imaging Spectrometers (NGIS).

The emergent technology of system-on-chip (SoC) devices promises lighter, smaller, cheaper, and more capable and reliable space electronic systems that could help to unveil some of the most treasured secrets in our universe. This technology is an improvement over the technology that is currently used in space applications, which lags behind state-of-the-art commercial-off-the-shelf (COTS) equipment by several generations. SoC technology integrates all computational power required by next-generation space exploration science instruments onto a single chip. This presentation will describe a Xilinx Zynq-based data acquisition, cloud-screening and compression computing system that has been developed at the Jet Propulsion Laboratory (JPL) for JPL’s Next Generation Imaging Spectrometers (NGIS). The Xilinx Zynq-based Alpha Data hardware assembly fits into a 120mm by 190m by 40mm assembly and uses 9 watts at peak performance. The computing element is a Xilinx Zynq Z7045Q which includes a Kintex-7 FPGA (equivalent to 3 RAD Virtex5 FPGAs in terms of logic cell resources) and dual-core ARM Cortex-A9 Processors (equivalent to 10 RAD750 Power PCs in term of processing capability).

Dolinar, Sam↗

High performance space computing with system-on-chip instrument avionics for space-based Next Generation Imaging Spectrometers (NGIS)

The emergent technology of system-on-chip (SoC) devices promises lighter, smaller, cheaper, and more capable and reliable space electronic systems that could help to unveil some of the most treasured secrets in our universe. This technology is an improvement over the technology that is currently used in space applications, which lags behind state-of-the-art commercial-off-the-shelf (COTS) equipment by several generations. SoC technology integrates all computational power required by next-generation space exploration science instruments onto a single chip. This presentation will describe a Xilinx Zynq-based data acquisition, cloud-screening and compression computing system that has been developed at the Jet Propulsion Laboratory (JPL) for JPL’s Next Generation Imaging Spectrometers (NGIS). The Xilinx Zynq-based Alpha Data hardware assembly fits into a 120mm by 190m by 40mm assembly and uses 9 watts at peak performance. The computing element is a Xilinx Zynq Z7045Q which includes a Kintex-7 FPGA (equivalent to 3 RAD Virtex5 FPGAs in terms of logic cell resources) and dual-core ARM Cortex-A9 Processors (equivalent to 10 RAD750 Power PCs in term of processing capability).

Dolinar, Sam↗

Understanding and Improving High-Performance I/O Subsystems

This research program has been conducted in the framework of the NASA Earth and Space Science (ESS) evaluations led by Dr. Thomas Sterling. In addition to the many important research findings for NASA and the prestigious publications, the program has helped orienting the doctoral research program of two students towards parallel input/output in high-performance computing. Further, the experimental results in the case of the MasPar were very useful and helpful to MasPar with which the P.I. has had many interactions with the technical management. The contributions of this program are drawn from three experimental studies conducted on different high-performance computing testbeds/platforms, and therefore presented in 3 different segments as follows: 1. Evaluating the parallel input/output subsystem of a NASA high-performance computing testbeds, namely the MasPar MP- 1 and MP-2; 2. Characterizing the physical input/output request patterns for NASA ESS applications, which used the Beowulf platform; and 3. Dynamic scheduling techniques for hiding I/O latency in parallel applications such as sparse matrix computations. This study also has been conducted on the Intel Paragon and has also provided an experimental evaluation for the Parallel File System (PFS) and parallel input/output on the Paragon. This report is organized as follows. The summary of findings discusses the results of each of the aforementioned 3 studies. Three appendices, each containing a key scholarly research paper that details the work in one of the studies are included.

El-Ghazawi, Tarek A.↗

Parallelization and Performance Portability in Hydrodynamics Codes

With the eve of Exascale computing, performance and portability are at the forefront of all scientific codes. Adding more cores and more energy to a system is no longer a sustainable way to achieve performance, and extra effort must now be made to improve performance in all areas of code and code development. Using hydrodynamic codes as a basis, this work explores numerous techniques to achieve performance in different ways. Adaptive mesh refinement (AMR) is a necessary technique to improve memory optimization in mesh-based simulations. However it is invasive and conventionally difficult to integrate into existing applications, so we present a new branch of AMR to create a smooth transition to these optimizations, which not only improves performance, but also greatly reduces developer effort. We introduce the concept of this improvement as Phantom-Cell AMR, and assess theoretically the improvements, as well as present an application of its use. Other work included involves and investigation into an efficient data structure that ensures optimal memory layout for cache performance, with a target of making codes performant and portable across all architectures. All of the work targets both performance and portability, not just on CPU hardware, but specifically across GPU architectures. Parallel performance is key to all of the methods presented, but the research makes a great effort to improve the portability of all applications to prepare for current high performance computing systems and those on the horizon.

97 MATHEMATICS AND COMPUTING↗

Performance and the NAS Parallel Benchmarks

This talk will describe the NAS (National Aerospace Standards) Parallel Benchmarks, which are now widely cited in the high performance computing field as a measure of sustained performance on realistic scientific applications. The latest performance results will be included. It will be shown that significant progress has been made by several systems during the past year or so, with sustained performance on a par with the best conventional systems, and with performance per dollar significantly exceeding the conventional systems. This talk will also describe many of the pitfalls of performance reporting, and will give advice on how to avoid such pitfalls. The overall state of the field of high performance computing will also be discussed.

Bailey, David H.↗