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All sources NASA NTRS DOE OSTI

DOE OSTI2020

Invited: Software defined accelerators from learning tools environment

Next generation systems, such as edge devices, will need to provide efficient processing of machine learning (ML) algorithms along several metrics, including energy, performance, area, and latency. However, the quickly evolving field of ML makes it extremely difficult to generate accelerators able to support a wide variety of algorithms. At the same time, designing accelerators in hardware description languages (HDLs) by hand is hard and time consuming, and does not allow quick exploration of the design space. In this paper we present the Software Defined Accelerators From Learning Tools Environment (SODALITE), an automated open source high-level ML framework-to-verilog compiler targeting ML Application-Specific Integrated Circuits (ASICs) chiplets. The SODALITE approach will implement optimal designs by seamlessly combining custom components generated through high-level synthesis (HLS) with templated and fully tunable Intellectural Properties (IPs) and macros, integrated in an extendable resource library. Through a closed loop design space exploration engine, developers will be able to quickly explore their hardware designs along different dimensions.

High-Level Synthesis, Accelerators, Hardware-Softw↗

NASA NTRS1997

AXAF Coordinate Transformation at XRCF

Coordinate transformation between focal plane and detector pixel systems must be handled carefully at the X-ray Calibration Facility (XRCF) as it will be during flight. The High Resolution Mirror Assembly (HRMA) X-ray Detection System (HXDS) stage dithers, and the five-axis mount (FAM) attachment points underwent various types of motion during testing. At the XRCF when the FAM moved, the Science Instrument Module (SIM) travel direction was not necessarily aligned with the mirror axis motion, and, in addition, an arbitrary position offset had to be calibrated. Misalignment from the mirror axis was assessed by measuring its displacement from the boresight configuration of the default FAM frame, and the HXDS stage was monitored for motion from the default FAM reference point. Mirror position, prescribed in a mirror modal coordinate system, was measured in HRMA pitch and yaw axes. Prior to corrections for dithering and FAM movement, the coordinate data at XRCF also had to be corrected for possible misalignments of the mirror mount relative to XRCF and the default FAM axes due to the movement of the FAM feet. Those misalignments were processed in terms of yaw-pitch-roll Euler angles in the mirror nodal coordinate, and in the default FAM frame, respectively. An AXAF Science Center (ASC) coordinate library, pixlib, has been built to support these coordinate transformations and was used during x-ray calibration at the George C. Marshall Space Flight Center, Huntsville, AL. The design and implementation of this library will be discussed.

He, Helen↗

NASA NTRS1990

Automating analog design: Taming the shrew

The pace of progress in the design of integrated circuits continues to amaze observers inside and outside of the industry. Three decades ago, a 50 transistor chip was a technological wonder. Fifteen year later, a 5000 transistor device would 'wow' the crowds. Today, 50,000 transistor chips will earn a 'not too bad' assessment, but it takes 500,000 to really leave an impression. In 1975 a typical ASIC device had 1000 transistors, took one year to first samples (and two years to production) and sold for about 5 cents per transistor. Today's 50,000 transistor gate array takes about 4 months from spec to silicon, works the first time, and sells for about 0.02 cents per transistor. Fifteen years ago, the single most laborious and error prone step in IC design was the physical layout. Today, most IC's never see the hand of a layout designer: and automatic place and route tool converts the engineer's computer captured schematic to a complete physical design using a gate array or a library of standard cells also created by software rather than by designers. CAD has also been a generous benefactor to the digital design process. The architect of today's digital systems creates the design using an RTL or other high level simulator. Then the designer pushes a button to invoke the logic synthesizer-optimizer tool. A fault analyzer checks the result for testability and suggests where scan based cells will improve test coverage. One obstinate holdout amidst this parade of progress is the automation of analog design and its reduction to semi-custom techniques. This paper investigates the application of CAD techniques to analog design.

Barlow, A.↗

DOE OSTI2020

Effect of Nuclear Data Covariances on Integral Experiment Design with Sensitivity and Uncertainty Analysis

Washington River Protection Solutions (WRPS) uses MCNP6.2 and the Whisper code for criticality safety analyses of the Hanford Tank Farm. Together the codes derive baseline upper subcritical limits (USLs) for the waste models using experimental benchmarks. Whisper returns higher USLs, i.e. , has less of a conservative penalty, when the neutronic similarity of the experimental benchmarks to the application is high. Unfortunately, few critical benchmarks have high similarity to the Hanford tanks. The waste in the tanks is highly dilute in plutonium and contains large masses of weakly neutron-absorbing elements like iron and manganese. Experimental benchmarks typically have low sensitivity to these absorbers because they are present as structural materials. Lacking similar benchmarks, new Thermal Epithermal eXperiment (TEX) configurations with high Pu content and interstitial iron absorbers have been designed for the criticality safety validation. The features of the design have been iterated upon to maximize the similarity between the experiment and different Hanford waste models. The similarity is quantified with sensitivity analysis and uncertainty quantification using the representativity coefficient, or c k . The representativity calculation requires nuclear data covariances, which may differ between nuclear data libraries and between library versions. Because of these variations, the optimal design may depend on the nuclear data covariances library. A scenario can be envisioned where an experiment is designed, and c k is maximized, with one set of covariance data. However, when the covariance data is changed, say from ENDF/B-VII.1 to ENDF/B-VIII.0, and the benchmark is used in a criticality safety evaluation, the experiment becomes suboptimal with respect to c k . In this paper, we present how the optimal design of the new TEX experiments varied depending on the nuclear data covariances used to calculate c k . We compare ENDF/B-VII.1 and ENDF/B-VIII.0, as if the library had been updated since the design of the experiment. Additionally, we use JEFF3.3 to simulate if the covariance data of a different library had been used. The results show that the covariances do have an important effect on the designs, less so for thermal systems (where the data are more consistent between evaluations) and more so for epithermal systems where more differences exist.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

optimas v0.1

optimas is a Python library that can coordinate a large number of numerical simulations on high-performance computing resources, with the aim of optimizing a given simulation result. More specifically, this library is currently used for design optimization of laser-plasma particle accelerators. In this context, the performance of particle accelerator designs are often evaluated with large-scale simulation codes, and many separate simulations need to be run - with different design parameters - in order to find the most performant design. optimas facilitates this process by providing a convenient interface to advanced optimizers (e.g. Bayesian optimization), and by coordinating the execution of the different simulations on HPC resources. (This is done by leveraging the library libensemble.) Compared to other open-source optimization libraries (e.g. Ax), optimas is more tailored towards execution on DOE HPC resources (e.g. Perlmutter, Summit, etc.) and is specialized for the type of simulation codes and workflows that are used in the community of laser-plasma acceleration.

Lehe, Remi↗

NASA NTRS1993

The redwood project: An overview

Redwood is a new generation tape subsystem now under development at StorageTek using helical scan technology. This library based storage subsystem is designed for the high performance, deep archival market. The topics are presented in viewgraph form and include the following: subsystem overview, media standards, Redwood developed tape, D3 helical recording format, Redwood cartridge, host software for Redwood libraries, and market opportunities.

Cheatham, Sam↗

DOE OSTI2026

mada-tools: MCP servers, configurations, skills, and examples for MADA

MADA-tools (Multi-Agent Design Assistant tools) is a library for defining MCP (Model Context Protocol) servers that can be used by AI agents in the MADA project. Each MCP server provides a focused set of tools that enhances an LLM's knowledge and capabilities for a specific domain, for example, how to launch jobs with Flux versus Slurm. The library makes it easy to configure and start multiple MCP servers using configuration files or command line options. Once running, these servers are intended to be consumed by one or more agents in the MADA ecosystem. The system is designed to be extensible so that future projects can contribute their own MCP servers, skills, and toolsets.

Gunnarson, BrianS [Lawrence Livermore National Lab↗

DOE OSTI2025

Materials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry

Graph deep learning models, which incorporate a natural inductive bias for atomic structures, are of immense interest in materials science and chemistry. Here, we introduce the Materials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry. Built on top of the popular Deep Graph Library (DGL) and Python Materials Genomics (Pymatgen) packages, MatGL is designed to be an extensible “batteries-included” library for developing advanced model architectures for materials property predictions and interatomic potentials. At present, MatGL has efficient implementations for both invariant and equivariant graph deep learning models, including the Materials 3-body Graph Network (M3GNet), MatErials Graph Network (MEGNet), Crystal Hamiltonian Graph Network (CHGNet), TensorNet and SO3Net architectures. MatGL also provides several pre-trained foundation potentials (FPs) with coverage of the entire periodic table, and property prediction models for out-of-box usage, benchmarking and fine-tuning. Finally, MatGL integrates with PyTorch Lightning to enable efficient model training.

chemistry↗

NASA NTRS1982

Linear-Algebra Programs

The Basic Linear Algebra Subprograms (BLAS) library is a collection of 38 FORTRAN-callable routines for performing basic operations of numerical linear algebra. BLAS library is portable and efficient source of basic operations for designers of programs involving linear algebriac computations. BLAS library is supplied in portable FORTRAN and Assembler code versions for IBM 370, UNIVAC 1100 and CDC 6000 series computers.

Lawson, C. L.↗

NASA NTRS1993

Repository-Based Software Engineering Program: Working Program Management Plan

Repository-Based Software Engineering Program (RBSE) is a National Aeronautics and Space Administration (NASA) sponsored program dedicated to introducing and supporting common, effective approaches to software engineering practices. The process of conceiving, designing, building, and maintaining software systems by using existing software assets that are stored in a specialized operational reuse library or repository, accessible to system designers, is the foundation of the program. In addition to operating a software repository, RBSE promotes (1) software engineering technology transfer, (2) academic and instructional support of reuse programs, (3) the use of common software engineering standards and practices, (4) software reuse technology research, and (5) interoperability between reuse libraries. This Program Management Plan (PMP) is intended to communicate program goals and objectives, describe major work areas, and define a management report and control process. This process will assist the Program Manager, University of Houston at Clear Lake (UHCL) in tracking work progress and describing major program activities to NASA management. The goal of this PMP is to make managing the RBSE program a relatively easy process that improves the work of all team members. The PMP describes work areas addressed and work efforts being accomplished by the program; however, it is not intended as a complete description of the program. Its focus is on providing management tools and management processes for monitoring, evaluating, and administering the program; and it includes schedules for charting milestones and deliveries of program products. The PMP was developed by soliciting and obtaining guidance from appropriate program participants, analyzing program management guidance, and reviewing related program management documents.

Source record↗

NASA NTRS1982

Electron lithography STAR design guidelines. Part 2: The design of a STAR for space applications

The STAR design system developed by NASA enables any user with a logic diagram to design a semicustom digital MOS integrated circuit. The system is comprised of a library of standard logic cells and computr programs to place, route, and display designs implemented with cells from the library. Also described is the development of a radiation-hard array designed for the STAR system. The design is based on the CMOS silicon gate technology developed by SANDIA National Laboratories. The design rules used are given as well as the model parameters developed for the basic array element. Library cells of the CMOS metal gate and CMOS silicon gate technologies were simulated using SPICE, and the results are shown and compared.

Trotter, J. D.↗

DOE OSTI2020

ArborX: A Performance Portable Geometric Search Library

Searching for geometric objects that are close in space is a fundamental component of many applications. The performance of search algorithms comes to the forefront as the size of a problem increases both in terms of total object count as well as in the total number of search queries performed. Scientific applications requiring modern leadership-class supercomputers also pose an additional requirement of performance portability, i.e., being able to efficiently utilize a variety of hardware architectures. In this article, we introduce a new open-source C++ search library, ArborX, which we have designed for modern supercomputing architectures. Herein, we examine scalable search algorithms with a focus on performance, including a highly efficient parallel bounding volume hierarchy implementation, and propose a flexible interface making it easy to integrate with existing applications. We demonstrate the performance portability of ArborX on multi-core CPUs and GPUs and compare it to the state-of-the-art libraries such as Boost.Geometry.Index and nanoflann.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems

The Dalton Project provides a uniform platform access to the underlying full-fledged quantum chemistry codes Dalton and LSDalton as well as the PyFraME package for automatized fragmentation and parameterization of complex molecular environments. The platform is written in Python and defines a means for library communication and interaction. Intermediate data such as integrals are exposed to the platform and made accessible to the user in the form of NumPy arrays, and the resulting data are extracted, analyzed, and visualized. Complex computational protocols that may, for instance, arise due to a need for environment fragmentation and configuration-space sampling of biochemical systems are readily assisted by the platform. The platform is designed to host additional software libraries and will serve as a hub for future modular software development efforts in the distributed Dalton community.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Accelerating Lossy and Lossless Compression on Emerging BlueField DPU Architectures

Data compression has become a crucial technique in addressing performance bottlenecks caused by increasing data volumes in High-Performance Computing (HPC), Big Data, and Deep Learning (DL). Despite its potential to boost system performance, recent studies have identified significant challenges with existing compression methods, mainly due to their high computational demands amidst continuously growing data sizes. Concurrently, the advent of Data Processing Units (DPUs), equipped with programmable System-on-Chip (SoC) and specialized compression accelerators, offers a promising opportunity to alter the landscape of data compression. This paper explores the complexities and potential of leveraging NVIDIA BlueField DPUs to accelerate lossy and lossless compression. Towards this, we introduce PEDAL, an innovative library that leverages the hardware capabilities of DPUs to unify and optimize data compression designs. Moreover, we seamlessly co-design PEDAL with the popular MPICH MPI library, demonstrating up to 101x speedup in compression time and 88x decrease in communication latency. Drawing on these achievements, we share our experience with various research communities about accelerating data compression on DPUs in communication-oriented HPC scenarios.

Li, Yuke↗

NASA NTRS1994

Development and implementation of an electronic library tour for the NASA Langley Technical Library

The role of librarians today is drastically influenced by the changing nature of information and library services. The museum-like libraries of yesterday are a thing of the past: today's libraries are bustling with life, activity, and the sounds of new technologies. Libraries are replacing their paper card catalogs with state-of-the-art online systems, which provide faster and more comprehensive search capabilities. Even the resources themselves are changing. New formats for information, such as CD-ROM's, are becoming popular for all types of publications, from bibliographic tools to encyclopedias to electronic journals, even replacing print materials completely in some cases. Today it is almost impossible to walk into a library and find the information you need without coming into contact with at least one computer system. Librarians are not only struggling to keep up with the technological advancements of the day, but they are becoming information intermediaries: they must teach library users how to use all of the new systems and electronic resources. Not surprisingly, bibliographic instruction itself has taken on a new look and feel in these electronically advanced libraries. Many libraries are experimenting with the development of expert systems and other computer aided instruction interfaces for teaching patrons how to use the library and its resources. One popular type of interface in library instruction programs is hypertext, which utilizes 'stacks' or linked pages of information. Hypertext stacks can incorporate color graphics along with text to provide a more interesting interface and entice users into trying out the system. Another advantage of hypertext is that it is generally easy to use, even for those unfamiliar with computers. As such, it lends itself well to application in libraries, which often serve a broad range of clientele. This paper will discuss the design, development, and implementation of a hypertext library tour in a special library setting. The library featured in the electronic library tour is the National Aeronautics and Space Administration's Technical Library at Langley Research Center in Hampton, Virginia.

Rinker, Nancy A.↗

NASA NTRS2010

Visual Data Comm: A Tool for Visualizing Data Communication in the Multi Sector Planner Study

Data comm is a new technology proposed in future air transport system as a potential tool to provide comprehensive data connectivity. It is a key enabler to manage 4D trajectory digitally, potentially resulting in improved flight times and increased throughput. Future concepts with data comm integration have been tested in a number of human-in-the-loop studies but analyzing the results has proven to be particularly challenging because future traffic environment in which data comm is fully enabled has assumed high traffic density, resulting in data set with large amount of information. This paper describes the motivation, design, current and potential future application of Visual Data Comm (VDC), a tool for visualizing data developed in Java using Processing library which is a tool package designed for interactive visualization programming. This paper includes an example of an application of VDC on data pertaining to the most recent Multi Sector Planner study, conducted at NASA s Airspace Operations Laboratory in 2009, in which VDC was used to visualize and interpret data comm activities

Lee, Hwasoo Eric↗

DOE OSTI2025

NEML2: An efficient and modular multiphysics constitutive modeling library for hybrid computing environments

This paper presents NEML2, an open-source, high-performance library developed for constitutive material modeling, designed to support the flexible and modular development of models for complex material behavior. Building on the foundational structure of its predecessor, NEML, the NEML2 library introduces significant improvements, including enhanced vectorization, automatic differentiation, and seamless integration with PyTorch, facilitating the application of machine learning techniques in material simulations. NEML2 provides a C++ backend with Python bindings, enabling users to create custom material models that can be executed efficiently on both CPU and GPU platforms. The library also supports coupling with Multiphysics simulation frameworks like MOOSE, making it suitable for realistic simulations involving coupled physical processes. Rigorous quality assurance through unit and regression testing ensures the reliability of results, while the extensible, user-friendly design encourages collaboration and reproducibility across the scientific community. This paper provides an overview of NEML2’s architecture, core features, and applications, highlighting its impact on accelerating material qualification and advancing computational methods in materials science.

GPU↗

DOE OSTI2025

Advancing nuclear forensics competencies at the National Nuclear Center of the Republic of Kazakhstan and conceptual development of a National Nuclear Forensics Library

Since 2021, the National Nuclear Center (NNC) of the Republic of Kazakhstan has been successfully developing a project dedicated to nuclear forensics. The relevance of this project is underscored by Kazakhstan’s leading position in the global uranium mining and export market. The country operates research reactors and is involved in the production of experimental nuclear fuel. The nuclear forensics project is being implemented in several key areas: the project will develop competencies in laboratory research of samples, interpretation of results, and develop a prototype concept for the National Nuclear Forensics Library. In implementing these challenges, the NNC experts draw on the experience of colleagues from world-leading scientific and research centers. Designing a prototype National Nuclear Forensics Library (NNFL) is a challenging project. In conclusion, the solution to this task is based on the IAEA’s approaches, recommendations, and the experience gained from the construction of similar systems in other countries.

and nuclear chemistry↗