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Summarizing the interoperabilities between xSDK members

Rapid, efficient production of high-quality, sustainable extreme-scale scientific applications is best accomplished using a rich ecosystem of state-of-the art reusable libraries, tools, lightweight frameworks, and defined software methodologies, developed by a community of scientists who are striving to identify, adapt, and adopt best practices in software engineering. The vision of the xSDK is to provide infrastructure for and interoperability of a collection of related and complementary software elements — developed by diverse, independent teams throughout the high-performance computing (HPC) community — that provide the building blocks, tools, models, processes, and related artifacts for rapid and efficient development of high-quality applications. A primary component, and challenge, of the xSDK is to improve interoperability among software libraries and domain components. This document summarizes the current and planned interoperabilities of the twenty-three xSDK member packages as of March 2021. Additionally, the status of the xSDK example codes that demonstrate and test the interoperabilities within the xSDK is provided.

97 MATHEMATICS AND COMPUTING↗

Low Precision and Efficient Programming Languages for Sustainable AI: Final Report for the Summer Project of 2024

This document contains all relevant material generated during the authors' summer internship at NREL in 2024. This report shows how to improve energy efficiency of a few code samples by using low-precision data types combined with mixed-precision algorithms. The main applications considered here are (i) linear system solvers using mixed precision, and (ii) neural networks using mixed precision. This report also discusses how programming languages affect energy consumption of algorithms, energy metrics for a code and tools, and the available current software and hardware infrastructure.

97 MATHEMATICS AND COMPUTING↗

Improving the Power Outage Resilience of Buildings with Solar PV through the Use of Battery Systems and EV Energy Storage

Buildings with solar photovoltaic (PV) generation and a stationary battery energy storage system (BESS) may self-sustain an uninterrupted full-level electricity supply during power outages. The duration of off-grid operation is dependent on the time of the power fault and the capabilities of the home energy management system (HEMS). In this paper, building resilience is quantified by analyzing the self-sustainment duration for all possible power outages throughout an entire year. An evaluation method is proposed and exercised on a reference house in California climate zone 9 for which the detailed electricity usage is simulated using the EnergyPlus software. The influence of factors such as energy use behavioral patterns, energy storage capacity from the BESS, and an electric vehicle (EV) battery on the building resilience is evaluated. Varying combinations of energy storage and controllable loads are studied for optimally improved resilience based on user preferences. It is shown that for the target home and region with a solar PV system of 7.2 kW, a BESS with a capacity of 11 kWh, and an EV with a battery of 80 kWh permanently connected to the home, off-grid self-sustained full operation is guaranteed for at least 72 h.

14 SOLAR ENERGY↗

Portfolio Management

Enterprise Business Information Services Division (EBIS) supports the Laboratory and its functions through the implementation and support of business information systems on behalf of its business community. EBIS Five Strategic Focus Areas: (1) Improve project estimating, planning and delivery capability (2) Improve maintainability and sustainability of EBIS Application Portfolio (3) Leap forward in IT Leadership (4) Comprehensive Talent Management (5) Continuous IT Security Program. Portfolio Management is a strategy in which software applications are managed as assets

Information Technology Applications↗

GC31G-1182: Opennex, a Private-Public Partnership in Support of the National Climate Assessment

The NASA Earth Exchange (NEX) is a collaborative computing platform that has been developed with the objective of bringing scientists together with the software tools, massive global datasets, and supercomputing resources necessary to accelerate research in Earth systems science and global change. NEX is funded as an enabling tool for sustaining the national climate assessment. Over the past five years, researchers have used the NEX platform and produced a number of data sets highly relevant to the National Climate Assessment. These include high-resolution climate projections using different downscaling techniques and trends in historical climate from satellite data. To enable a broader community in exploiting the above datasets, the NEX team partnered with public cloud providers to create the OpenNEX platform. OpenNEX provides ready access to NEX data holdings on a number of public cloud platforms along with pertinent analysis tools and workflows in the form of Machine Images and Docker Containers, lectures and tutorials by experts. We will showcase some of the applications of OpenNEX data and tools by the community on Amazon Web Services, Google Cloud and the NEX Sandbox.

datasets↗

Is Structured Agile an Oxymoron? Tales from Implementing and Executing Agile in a US Government Environment

To paraphrase a famous quote, "No plan survives contact with the reality." Software (SW) development is often a classic example of this: whatever the plan was for a particular development, it often does not survive contact with technical realities, budget realities, program realities and schedule realities. Traditionally, SW development has followed a waterfall methodology with requirements being rigorously specified before the design, which was completed before the coding and unit testing started, which were in turn finished before validation and verification started. This model of SW engineering derives much from the HW engineering of large systems, and has been the standard methodology used in US government software acquisitions and systems for decades, with highly variable results. US Government SW requirements are built around Waterfall concepts, which assume that the plan will survive contact with reality, or at least that modifications to the plan are relatively small, and relatively few.Because of the inefficiencies and difficulties inherent in Waterfall, the commercial SW world started using a different SW development methodology called Agile more than 20 years ago. Agile believes that a plan should evolve and learn rapidly in response to the realities encountered. At its core, there are a few key elements of Agile:- A small team of people which is highly flexible and adaptive. The team collaborates and interoperates through sophisticated development architectures and release environments- An iterative, incremental development and release approach which is based upon the concept that knowledge comes from experience within the team, and that the team makes decisions based upon what it knows- A team culture which prizes transparency, inspection and adaptation. These values are necessary so that the team experience and decision making is transparent and responsive to the realities encountered during development and testingSo, how to use Agile in a US Government environment? GMSEC (Goddard Mission Services Evolution Center) develops satellite ground system software for NASA and other US Government agencies. The SW developed by the team contains a large code base of many applications used within satellite mission operations centers. It spans the full gamut of SW development types: from SW which is in a classic maintenance and sustainment mode, to new developments with a fairly well understood scope and approach, to new developments whose scope and approach are quite unclear and which require significant research and prototyping. Team members move between all of these different types of SW development. Waterfall was inadequate to the programmatic and technical needs of the team, as well as the various types of SW development being done. The software plan was not surviving contact with the technical and programmatic realities experienced by the team. To address this, the team started a small pilot project in 2016 to test the use of Agile within a small subset of the team for a new web services application. In early 2018, the use of Agile was expanded to the whole team and all the software, but we had to fulfill the NASA SW development requirements. And we needed to do this while still remaining true to the key Agile elements of transparency, inspection and adaption. In order to do this, the team worked very closely with the Software Process Improvement (SPI) team at NASA Goddard, as well as NASA engineering manageme

Beech, Theresa W.↗

Caribbean Oceans: Utilizing NASA Earth Observations to Detect, Monitor, and Respond to Unprecedented Levels of Sargassum in the Caribbean Sea

In 2011 and 2015, the nations of the Caribbean Sea were overwhelmed by the unprecedented quantity of Sargassum that washed ashore. This issue prompted international discussion to better understand the origins, distribution, and movement of Sargassum, a free-floating brown macro alga with ecological, environmental, and commercial importance. In the open ocean, Sargassum mats serve a vital ecological function. However, when large quantities appear onshore without warning, Sargassum threatens local tourist industries and nearshore ecosystems within the Caribbean. As part of the international response, this project investigated the proliferation of this macro alga within the Caribbean Sea from 2003-2015, and used NASA Earth observations to detect and model Sargassum growth across the region. The Caribbean Oceans team calculated the Floating Algal Index (FAI) using Terra Moderate Resolution Imaging Spectroradiometer (MODIS) data, and compared the FAI to various oceanic variables to determine the ideal pelagic environment for Sargassum growth. The project also examined the annual spread of Sargassum throughout the region by using Earth Trends Modeler (ETM) in Clark Labs' TerrSet software. As part of the international effort to better understand the life cycle of Sargassum in the Caribbean, the results of this project will help local economies promote sustainable management practices in the region.

Ped, Jordan↗

Towards Sustainable Post-Exascale Leadership Computing

As computing systems approach the limits of traditional silicon technology, the diminishing returns in performance per watt present a significant barrier to sustaining growth in HPC. From a large-scale scientific supercomputing facility point of view, we propose a multifaceted strategy toward specialized hardware and architectures that are optimized for energy efficiency in specific applications. We also emphasize the need for integrating energy-aware practices across all levels of HPC, from system design and software development to operational policies. We discuss strategic opportunities such as the adoption of application-specific accelerators, the development of energy-efficient algorithms, and the implementation of data-driven operational analytics. Our goal is to develop a comprehensive roadmap ensuring that future leadership systems at OLCF can meet scientific demands while operating within stringent energy budgets, thereby supporting sustainable computing growth.

Shin, Woong↗

Serial Network Flow Monitor

Using a commercial software CD and minimal up-mass, SNFM monitors the Payload local area network (LAN) to analyze and troubleshoot LAN data traffic. Validating LAN traffic models may allow for faster and more reliable computer networks to sustain systems and science on future space missions. Research Summary: This experiment studies the function of the computer network onboard the ISS. On-orbit packet statistics are captured and used to validate ground based medium rate data link models and enhance the way that the local area network (LAN) is monitored. This information will allow monitoring and improvement in the data transfer capabilities of on-orbit computer networks. The Serial Network Flow Monitor (SNFM) experiment attempts to characterize the network equivalent of traffic jams on board ISS. The SNFM team is able to specifically target historical problem areas including the SAMS (Space Acceleration Measurement System) communication issues, data transmissions from the ISS to the ground teams, and multiple users on the network at the same time. By looking at how various users interact with each other on the network, conflicts can be identified and work can begin on solutions. SNFM is comprised of a commercial off the shelf software package that monitors packet traffic through the payload Ethernet LANs (local area networks) on board ISS.

Robinson, Julie A.↗

Well-to-Wheels Analysis of Zero-Emission Plug-In Battery Electric Vehicle Technology for Medium- and Heavy-Duty Trucks

Conventional diesel medium- and heavy-duty vehicles (MHDVs) create large amount of air emissions. With the advancement in technology and reduction in the cost of batteries, plug-in battery electric vehicles (BEVs) are increasingly attractive options for improving energy efficiency and reducing air emissions of MHDVs. In this paper, we compared the well-to-wheels (WTW) greenhouse gases (GHGs) and criteria air pollutant emissions of MHD BEVs with their conventional diesel counterparts across weight classes and vocations. We expanded the Greenhouse gases, Regulated Emissions, and Energy use in Technologies (GREET) model to conduct the WTW analysis of MHDVs. The fuel economy for a wide range of MHDV weight classes and vocations, over various driving cycles, was evaluated using a high-fidelity vehicle dynamic simulation software (Autonomie). The environmental impacts of MHD BEVs are sensitive to the source of electricity used to recharge their batteries. The WTW results show that MHD BEVs significantly improve environmental sustainability of MHDVs by providing deep reductions in WTW GHGs, nitrogen oxides, volatile organic compounds, and carbon monoxide emissions, compared to conventional diesel counterparts. Increasing shares of renewable and natural gas technologies in future national and regional electricity generation are expected to reduce WTW particulate matters and sulfur oxide emissions for further improvement of the environmental performance of MHD BEVs.

33 ADVANCED PROPULSION SYSTEMS↗

National Energy Water Treatment & Speciation (NEWTS): A Water & Critical Mineral Database and Dashboard

The scarcity of water resources, the need for beneficial water reuse, and the challenges of wastewater treatment are becoming increasingly pressing in economic, social, and environmental domains. Addressing these concerns requires effective treatment strategies to manage wastewater streams and tackle environmental and economic issues. Furthermore, the recovery of critical minerals from the waste streams associated with energy production holds the promise of offsetting treatment costs and securing local sources of valuable minerals. However, relevant data on these waste streams are dispersed and challenging to locate. The process of ingesting such data into modeling software often involves multiple steps, requiring data restructuring to meet software-input requirements. The non-standardized reporting of water data makes data aggregation and reformatting a time-consuming process. Additionally, essential attributes necessary for modeling water treatment and mineral scale formation are frequently missing. Moreover, data gaps vary depending on the region of interest. Consequently, there is a pressing need for high-quality energy-water composition data that can be easily imported into water chemistry modeling software. To address this need, the National Energy Technology Laboratory has created the National Energy Water Treatment and Speciation (NEWTS) Database and Dashboard—a free online tool catering to community leaders and water researchers. NEWTS facilitates a comprehensive understanding of the composition of energy-related wastewater streams in the United States. The datasets provide detailed concentrations and speciation of major and minor aqueous compounds in energy-related wastewater streams, including power plant leachate, acid mine drainage, brackish water, and oil and gas produced water across the United States. Many of the aqueous species are critical minerals (Li, REEs) in high demand to modernize the world’s energy infrastructure. Many of the datasets also contain volumetric flow-rates needed to model the treatment and reuse scenarios in advanced aqueous chemistry software programs. The NEWTS Database and Dashboard offer public access to hitherto challenging-to-access datasets, presented in a standardized format that is tailored for easy input into aqueous chemistry modeling software. By performing the work needed to transform dispersed, disparate data sources into unified, model-ready datasets, NEWTS serves as an essential resource in advancing water treatment research and sustainable water resource management.

produced water management↗

Differentiable Multiphysics Codes: A Breakthrough Technology for Simulation and Computing

This document summarizes the findings of a strategic planning exercise commissioned by the Weapons Simulation and Computing, Computational Physics (WSC/CP) program at the Lawrence Livermore National Laboratory (LLNL) in FY24. During the year, the committee met with multiple stakeholder communities to gather input, opinions, suggestions and concerns which have been incorporated throughout this document. The key findings from this exercise are summarized: • The development of multiphysics modelling and simulation (mod/sim) codes and software technologies, their deployment on exascale compute platforms, and their broad adoption across the NNSA is a major success of the Advanced Simulation and Computing (ASC) program and the Exascale Computing Project (ECP). Sustained investment in these core technologies is essential. • Today’s state of the art involves running ensembles of O(100K) simulations to perform uncertainty quantification (UQ) and design studies using multiple statistical methods such as Bayesian optimization to understand sensitivities of our models and explore parameterized design spaces. Even with exascale computing, we are practically limited to O(10) parameters in these studies since the number of simulations required to sample the space scales exponentially with the number of design parameters. • The data from these simulation ensembles is increasingly being used to train machine learned (ML) surrogates (or reduced order models, ROMs) which can then be used for optimization or real time design exploration. However, the trained surrogates are still limited in the number of parameters they can represent due to the sampling limitations previously noted. • Augmenting our suite of integrated multiphysics simulation codes, both current and emerging, with the ability to compute gradients (solution derivatives) of arbitrary simulation outputs with respect to (some or all) simulation inputs would be a breakthrough technology, opening the door to a new era of efficient and automated inverse design based on verified and validated mod/sim capabilities. • This capability, which we refer to as differentiable multiphysics codes (DMCs), would revolutionize both UQ and optimization studies by breaking the curse of dimensionality that presently limits our “gradient-free” ensemble based computing approach. A similar breakthrough occurred in the AI/ML community once the ability to compute gradients of arbitrary loss functions using back-propagation became commonplace. Gradient information from the multiphysics codes can also be used to dramatically improve the efficiency and scale of training of ML/ROM surrogates for rapid assessments. • Achieving this in our suite of codes will be a grand challenge, similar to the amount of effort that was required to transition from CPU to GPU computing. It will require buy-in from the entire WSC/CP program and beyond, including all integrated codes, physics and engineering models, third-party library dependencies and performance portability abstractions. It will also require investment in research and development of numerical methods for computing adjoints of coupled physics across multiple adaptively refined moving meshes and of stochastic (Monte Carlo) and mesh free (SPH) methods. • New software and numerical techniques, largely pioneered by the AI/ML community, make this feasible. Chief among these is automatic differentiation (AD), the ability to employ AD at point-wise locations in a physics calculation (instead of traditional black-box approaches) and the ability to perform “back-propagation in time” (or reverse mode AD) for non-linear partial differential equations (PDEs). Fundamentally, the conclusion of this strategic planning exercise is that the time is right to undertake a large scale effort in WSC, centered on the existing integrated codes, to continue the natural evolution of mod/sim in the age of AI/ML. Instead of attempting to replace mod/sim with purely data driven AI/ML models, we believe the key to success is to integrate AI/ML by building on top of the decades of hard-won knowledge and the verified/validated multiphysics modelling capability that is the hallmark of the ASC program.

97 MATHEMATICS AND COMPUTING↗

RAVEN User Manual

RAVEN is a generic software framework to perform parametric and probabilistic analysis based on the response of complex system codes. The initial development was aimed to provide dynamic risk analysis capabilities to the Thermo-Hydraulic code RELAP-7, currently under development at the Idaho National Laboratory (INL). Although the initial goal has been fully accomplished, RAVEN is now a multi-purpose probabilistic and uncertainty quantification platform, capable to agnostically communicate with any system code. This agnosticism includes providing Application Programming Interfaces (APIs). These APIs are used to allow RAVEN to interact with any code as long as all the parameters that need to be perturbed are accessible by inputs files or via python interfaces. RAVEN is capable of investigating the system response, and investigating the input space using Monte Carlo, Grid, or Latin Hyper Cube sampling schemes, but its strength is focused to- ward system feature discovery, such as limit surfaces, separating regions of the input space leading to system failure, using dynamic supervised learning techniques. The development of RAVEN has started in 2012, when, within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, the need to provide a modern risk evaluation framework became stronger. RAVEN principal assignment is to provide the necessary software and algorithms in order to employ the concept developed by the Risk Informed Safety Margin Characterization (RISMC) program. RISMC is one of the pathways defined within the Light Water Reactor Sustainability (LWRS) program. In the RISMC approach, the goal is not just the individuation of the frequency of an event potentially leading to a system failure, but the closeness (or not) to key safety-related events. Hence, the approach is interested in identifying and increasing the safety margins related to those events. A safety margin is a numerical value quantifying the probability that a safety metric (e.g. for an important process such as peak pressure in a pipe) is exceeded under certain conditions. The initial development of RAVEN has been focused on providing dynamic risk assessment capability to RELAP-7, currently under development at the INL and, likely, future replacement of the RELAP5-3D code. Most the capabilities that have been implemented having RELAP-7 as principal focus are easily deployable for other system codes. For this reason, several side activates are currently ongoing for coupling RAVEN with soft- ware such as RELAP5-3D, etc. The aim of this document is the explanation of the input requirements, focalizing on the input structure.

97 MATHEMATICS AND COMPUTING↗

An Overview of MCC and Its Research

Viewgraphs on Microelectronics and Computer Technology Corporation (MCC) are presented. The MCC is a cooperative enterprise whose mission is to strengthen and sustain America's competitiveness in information technologies. Their objective is excellence in meeting broad industry needs through application-driven research, development, and timely deployment of innovative technology. Research programs include: software technology; VLSI/computer aided design; packaging/interconnect; electronic applications of high temperature superconductors; and advanced computing technology.

Lundstrom, Stephen F.↗

SERVIR - Connecting Space to Village in Africa, Asia and the Americas

SERVIR is a joint NASA and USAID program that partners with countries and organizations to support locally led efforts to strengthen climate resilience, food and water security, forest and carbon management, and air quality. This unique program integrates NASA’s world class scientists and data with USAID’s development expertise and network of partners and relationships around the world. SERVIR harnesses the power of satellite data and science collaboration to support healthy, sustainable communities, livelihoods and environments. SERVIR’s name is derived from Latin, meaning "to serve.” We serve and partner with leading local, national, and regional institutions in Africa, Asia, and Latin America and in partnership with scientists and subject matter experts to co-develop and implement activities called “services.” Each of SERVIR’s services provide a comprehensive suite of geospatial data, software, and training materials, all of which are tailored to the unique needs of SERVIR’s end users. Each service is collaboratively designed and implemented with the help of partners and users, such as local governments and NGOs, to better support decision-making. When SERVIR plans new services, it prioritizes long-term dialogue and engagement with communities to ensure that services are sustainable, socially inclusive, and suited to local needs. SERVIR strives to make the power of Earth science more accessible and inclusive. All web tools are made publicly available to help promote greater uptake and long-term use of SERVIR’s services.

SERVIR↗

An Integrated Risk Assessment Process of Safety-Related Digital I&C Systems in Nuclear Power Plants

Upgrading the existing analog instrumentation and control (I&C) systems to state-of-the-art digital I&C (DI&C) systems will greatly benefit existing light water reactors. However, the issue of software common cause failure (CCF) remains an obstacle in terms of qualification for digital technologies. Existing analyses of CCFs in I&C systems mainly focus on hardware failures. With the application and upgrading of new DI&C systems, design flaws could cause software CCFs to become a potential threat to plant safety, considering that most redundancy designs use similar digital platforms or software in their operating and application systems. With complex multilayer redundancy designs to meet the single failure criterion, these I&C safety systems are of particular concern in U.S. Nuclear Regulatory Commission licensing procedures. In Fiscal Year 2019, the Risk-Informed Systems Analysis (RISA) Pathway of the U.S. Department of Energy’s Light Water Reactor Sustainability Program initiated a project to develop a risk assessment strategy for delivering a strong technical basis to support effective, licensable, and secure DI&C technologies for digital upgrades and designs. An integrated risk assessment for the DI&C process was proposed for this strategy to identify potential key digital-induced failures, implement reliability analyses of related digital safety I&C systems, and evaluate the unanalyzed sequences introduced by these failures (particularly software CCFs) at the plant level. Here this paper summarizes these RISA efforts in the risk analysis of safety-related DI&C systems at Idaho National Laboratory.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA Ames Sustainability Initiatives: Aeronautics, Space Exploration, and Sustainable Futures

In support of the mission-specific challenges of aeronautics and space exploration, NASA Ames produces a wealth of research and technology advancements with significant relevance to larger issues of planetary sustainability. NASA research on NexGen airspace solutions and its development of autonomous and intelligent technologies will revolutionize both the nation's air transporation systems and have applicability to the low altitude flight economy and to both air and ground transporation, more generally. NASA's understanding of the Earth as a complex of integrated systems contributes to humanity's perception of the sustainability of our home planet. Research at NASA Ames on closed environment life support systems produces directly applicable lessons on energy, water, and resource management in ground-based infrastructure. Moreover, every NASA campus is a 'city'; including an urbanscape and a workplace including scientists, human relations specialists, plumbers, engineers, facility managers, construction trades, transportation managers, software developers, leaders, financial planners, technologists, electricians, students, accountants, and even lawyers. NASA is applying the lessons of our mission-related activities to our urbanscapes and infrastructure, and also anticipates a leadership role in developing future environments for living and working in space.

Planetary futures↗

Designing a Software Architecture for the Precision Assembly of Space Structures

As NASA’s space exploration and science missions expand in complexity, longevity, anddistance beyond earth’s orbit, Orbital Servicing, Assembly and Manufacturing (OSAM)technologies and concepts have become a critical area of ongoing research and innovation.Artemis’ Moon-to-Mars goals of building sustainable elements on and around the Moon andMars that allow our robots and astronauts to explore and conduct more scientific researchwill demand in situ resource utilization, construction, and maintenance to succeed. In-spaceAssembly (ISA), as a sub-component of OSAM, focuses on the on-orbit building or fabricationof mission infrastructure and payloads. One such ISA application is highlighted by the recentNASA In-Space Assembled Telescope (iSAT) study, which stated that the next generation ofspace observatories will exceed the fairing size of existing or even planned launch vehicles andISA has emerged as a viable approach for observatory assembly. Research efforts at NASALangley Research Center have led to the design of a novel TriTruss structural concept for themodular construction of large complex persistent platforms. The TriTruss design and otherdeveloping OSAM technologies enable larger and persistent space missions that would notbe possible with single-launch-sized structures. For example, 20 meter or larger telescopesor orbital platform applications. However, the increased complexity will require autonomousoperations for the construction and maintenance of long-term infrastructure to achieve missionsuccess. NASA’s Precision Assembly of Space Structures (PASS) project is focused on thestructural and autonomy capabilities required to construct an iSAT in deep space. PASSresearch efforts will develop and validate critical technologies needed for effective efficienton-orbit assembly that can be confidently adopted for future systems. PASS will utilize theTriTruss modules to demonstrate the autonomous modular assembly of a 20m-class iSAT mirrorbackbone structure including simulated mirrors and wiring harness. In this paper, we addressthe software and hardware design considerations, technologies, and challenges of designing arobust robotics framework for assembling modular space structures in support of In SpaceAssembly missions in general as well as for PASS specifically.

Benjamin N Kelley↗