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All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

MueLu Multigrid Preconditioning Package

MueLu is intended for the research and development of multigrid algorithms used in the solution of sparse linear systems arising from systems of partial differential equations. The software provides multigrid source code, test programs, and short example programs to demonstrate the various interfaces for creating, accessing, and applying the solvers. MueLu currently provides an implementation of smoothed aggregation algebraic multigrid method and interfaces to many commonly used smoothers. However, the software is intended to be extensible, and new methods can be incorporated easily. MueLu also allows for advanced usage, such as combining multiple methods and segregated solves. The library supports point and block access to matrix data. All algorithms and methods in MueLu have been or will be published in the open scientific literature.

Source record↗
DOE OSTI2022

Real-World Experiences Adopting Workflows at Exascale on the ExaAM Project

The purpose of this study is to discuss the experiential lessons associated with adopting scientific workflows in the Exascale Additive Manufacturing project (ExaAM) through the lens of Perceived Characteristic of Innovation (PCI). Besides the implementation, the factors we considered critical to the adoption of the workflow are provenance, sustainable automation, implementation challenges, and integration/compatibility challenges. Through conversations and interviews among the program managers, project leads, and software engineers, we have developed critical insight and strategies to overcome the obstacles and augment the successful adoption and long-term use of these workflows in ExaAM and beyond. We hope our work will pave the way for others in the research community to develop and use workflows in their respective science domains.

Malviya, Addi Thakur↗
NASA NTRS2015

Software Defined Radio Architecture Contributions to Next Generation Space Communications

Space communications architecture concepts, comprising the elements of the system, the interactions among them, and the principles that govern their development, are essential factors in developing National Aeronautics and Space Administration (NASA) future exploration and science missions. Accordingly, vital architectural attributes encompass flexibility, the extensibility to insert future capabilities, and to enable evolution to provide interoperability with other current and future systems. Space communications architectures and technologies for this century must satisfy a growing set of requirements, including those for Earth sensing, collaborative observation missions, robotic scientific missions, human missions for exploration of the Moon and Mars where surface activities require supporting communications, and in-space observatories for observing the earth, as well as other star systems and the universe. An advanced, integrated, communications infrastructure will enable the reliable, multipoint, high-data-rate capabilities needed on demand to provide continuous, maximum coverage for areas of concentrated activity. Importantly, the cost/value proposition of the future architecture must be an integral part of its design; an affordable and sustainable architecture is indispensable within anticipated future budget environments. Effective architecture design informs decision makers with insight into the capabilities needed to efficiently satisfy the demanding space-communication requirements of future missions and formulate appropriate requirements. A driving requirement for the architecture is the extensibility to address new requirements and provide low-cost on-ramps for new capabilities insertion, ensuring graceful growth as new functionality and new technologies are infused into the network infrastructure. In addition to extensibility, another key architectural attribute of the space communication equipment's interoperability with other NASA communications systems, as well as those communications and navigation systems operated by international space agencies and civilian and government agencies. In this paper, we review the philosophies, technologies, architectural attributes, mission services, and communications capabilities that form the structure of candidate next-generation integrated communication architectures for space communications and navigation. A key area that this paper explores is from the development and operation of the software defined radio for the NASA Space Communications and Navigation (SCaN) Testbed currently on the International Space Station (ISS). Evaluating the lessons learned from development and operation feed back into the communications architecture. Leveraging the reconfigurability provides a change in the way that operations are done and must be considered. Quantifying the impact on the NASA Space Telecommunications Radio System (STRS) software defined radio architecture provides feedback to keep the standard useful and up to date. NASA is not the only customer of these radios. Software defined radios are developed for other applications, and taking advantage of these developments promotes an architecture that is cost effective and sustainable. Developments in the following areas such as an updated operating environment, higher data rates, networking and security can be leveraged. The ability to sustain an architecture that uses radios for multiple markets can lower costs and keep new technology infused.

Lessons Learned↗
DOE OSTI2021

Enabling Scalable and Extensible Memory-mapped Datastores in Userspace

Exascale workloads are expected to incorporate data-intensive processing in close coordination with traditional physics simulations. These emerging scientific, data-analytics and machine learning applications need to access a wide variety of datastores in flat files and structured databases. Programmer productivity is greatly enhanced by mapping datastores into the application process's virtual memory space to provide a unified “in-memory” interface. Currently, memory mapping is provided by system software primarily designed for generality and reliability. However, scalability at high concurrency is a formidable challenge on exascale systems. Also, there is a need for extensibility to support new datastores potentially requiring HPC data transfer services. In this article, we present UMap , a scalable and extensible userspace service for memory-mapping datastores. Furthermore, through decoupled queue management, concurrency aware adaptation, and dynamic load balancing, UMap enables application performance to scale even at high concurrency. We evaluate UMap in data-intensive applications, including sorting, graph traversal, database operations, and metagenomic analytics. Our results show that UMap as a userspace service outperforms an optimized kernel-based service across a wide range of intra-node concurrency by 1.22-1.9 × . We performed two case studies to demonstrate UMap 's extensibility. First, a new datastore residing in remote memory is incorporated into UMap as an application-specific plugin. Second, we present a persistent memory allocator Metall built atop UMap for unified storage/memory.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Performance Evaluation of Intelligent Solar Control Software Through Hardware-in-the-Loop (CRADA Final Report)

Recent research has highlighted the potential for solar to act as a zero-marginal-cost and zero-emission flexibility resource on the bulk power system when operated with advanced control systems. To increase the performance of these systems, leading technologies, including machine learning (ML) and hierarchical inverter set point allocation, have been developed by Latimer Controls, Inc. to estimate the headroom of large PV plants for grid operation and control; however, these technologies lack comprehensive validation under real-world application scenarios. Latimer Controls, Inc. received two voucher awards for research at a national laboratory from the Department of Energy American Made Solar Prize Round 6. The National Renewable Energy Laboratory (NREL) was selected to collaborate with Latimer staff to conduct a performance evaluation of Latimer PV control software. The NREL team will develop a hardware-in-the-loop (HIL) testbed to perform testing and validation of the Latimer PV control technology in a de-risked yet realistic testbed environment. Latimer and NREL worked together to analyze the test data, draw conclusions from the results, and disseminate the resulting scientific findings. In this CRADA work, we propose to test and validate the real-world application of the Latimer Control solution in an HIL environment. We evaluate the performance of different flexible solar technologies in responding to automatic generation control signals in a closed-loop fashion. In particular, a data-driven potential high limit (PHL) estimation is developed for large solar plants to accurately estimate their headroom so that they have fast and short-time regulation and control capability to participate in grid services and respond to grid signals in real time (e.g., AGC). This PHL estimation algorithm is embedded in a hardware power plant controller (PPC) and tested with an IEEE-39 bus system model developed in RTDS. To account for the varying cloud conditions and diverse inverter dispatches, we developed a 135-MW PV plant with detailed modeling of 27 individual PV modules and inverters using RTDS. The real-world communications used in such big plants, such as ModBus TCP/IP for inverter level and DNP3 for plant level, were developed to emulate the real-world applications in big PV plants. The ML-based PHL estimation method is tested under nine separate weather scenarios against the ‘reference-control’ solution, hereafter referred to as the baseline solution. The baseline method reserves a subset of inverters (reference group) to operate at their PHL at all times and dispatches only the remaining inverters (control group) at curtailed levels to fulfill the flexibility need. Despite being successfully piloted by NREL in California in 2017 and Chile in 2020, there exist two gaps in the state of the art to fully unlock the flexibility of PV plants: a. There is a trade-off between the PHL estimation accuracy and the flexibility range. b. There lacks granularity in the PHL estimation to capture the variation across inverters. The Latimer solution seeks to address these gaps by applying machine learning methods to improve PHL estimation accuracy while accounting for variability at every inverter. Performance metrics were taken from the 2023 Georgia Power CARES utility-scale RFP. The results demonstrate that the ML-based approach outperforms the traditional baseline method in PHL estimation accuracy for 7 of 9 scenarios. The average PHL error across the nine scenarios was 7.40% for the ML-based method, 2.06% less than the 9.46% PHL error average across scenarios that was exhibited by the baseline method. Additionally, the PHL error was below 5% for at least 95% of the testing interval for 3 of 9 tested intervals with the ML approach, whereas it did not achieve this metric for any of the baseline tests. Overall, simulation results indicate the superior performance of an ML-based approach compared to the conventional baseline reference-control approach, showcasing its potential to support grid stability and operational efficiency. This laboratory HIL testing using real PPC, representative power system simulation models in real-time with detailed PV plant and inverter models, and real-world communication protocols gives us confidence that this machine learning based PHL estimation algorithm works well in the hardware PPC and therefore de-risks future field commissioning. The end goal of this project is to advance grid technology to address the grid operation challenges brought by solar plant’s variability and uncertainties in power generation.

14 SOLAR ENERGY↗
DOE OSTI2025

PowerModel-AI: A First On-the-Fly Machine-Learning Predictor for AC Power Flow Solutions

The real-time creation of machine-learning models via active or on-the-fly learning has attracted considerable interest across various scientific and engineering disciplines. These algorithms enable machines to build models autonomously while remaining operational. Through a series of query strategies, the machine can evaluate whether newly encountered data fall outside the scope of the existing training set. In this study, we introduce PowerModel-AI, an end-to-end machine learning software designed to accurately predict AC power flow solutions. We present detailed justifications for our model design choices and demonstrate that selecting the right input features effectively captures load flow decoupling inherent in power flow equations. Our approach incorporates on-the-fly learning, where power flow calculations are initiated only when the machine detects a need to improve the dataset in regions where the model’s suboptimal performance is based on specific criteria. Otherwise, the existing model is used for power flow predictions. This study includes analyses of five Texas A&M synthetic power grid cases, encompassing the 14-, 30-, 37-, 200-, and 500-bus systems. The training and test datasets were generated using PowerModels.jl, an open-source power flow solver/optimizer developed at Los Alamos National Laboratory, NM, USA.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2005

Looking for systematic error in scale from terrestrial reference frames derived from DORIS data

The long-term stability of the scale of Terrestrial Reference Frames is directly linked with station height determination and is critical for several scientific studies, such as global mean sea level rise or ocean circulation with consequences on global warming studies. In recent International Terrestrial Reference Frame solutions, the DORIS technique was not sonsidered able to provide any useful information on scale. We have analyzed three different DORIS time series of coordinates performed independently using different software packages.

Terrestrial Reference Frame (TRF)↗
DOE OSTI2026

NCCS High Performance GMRES Mixed Precision

HPG-MxP is a software package that performs a fixed number of multigrid preconditioned (using a Gauss-Seidel smoother) Generalized minimal residual (PGMRES) iterations in order to solve a possibly nonsymmetric large sparse linear system of equations. It is designed to be a benchmark to measure a computer's performance for sparse linear algebra workloads typical in scientific computing while allowing the use of mixed precision methods. The solution is required to have convergence characteristics and accuracy similar to double precision GMRES. It is based on the High Performance Conjugate Gradient Benchmark (HPCG) which restricts all implementations to use only the IEEE double precision format (FP64). The original implementation (https://github.com/hpg-mxp/hpg-mxp) was written by Ichitaro Yamazaki, Jennifer Loe, Christian Glusa, Sivasankaran Rajamanickam, Piotr Luszczek, and Jack Dongarra. Please refer to that repository for documentation on the original implementation. This version is maintained by the National Center for Computational Sciences at Oak Ridge National Laboratory. It is highly scalable and optimized for Oak Ridge Leadership Computing Facility (OLCF) systems, particularly Frontier.

Kashi, Aditya [Oak Ridge National Laboratory (ORNL↗
NASA NTRS2005

Infrared Extinction and the Initial Conditions for Star and Planet Formation

This grant funded a research program to use infrared extinction measurements to probe the detailed structure of dark molecular clouds and investigate the physical conditions which give rise to star and planet formation. The goals of the this program were to: 1) acquire deep infrared and molecular-line observations of a carefully selected sample of nearby dark clouds, 2) reduce and analyze the data obtained in order to produce detailed extinction maps of the clouds, 3) use the results to measure and quantitatively describe the physical conditions of the dense gas and dust that produce stars and their accompanying planetary systems in molecular clouds. The goals of this project were met and exceeded as described below. 1) The infrared data for the project were obtained in a number of observing runs using the 3.5-meter NTT and 8-meter VLT telescopes of the European Southern Observatory in Chile and the 1.2-meter telescope of the Smithsonian Astrophysical Observatory in Arizona, the 1 0-meter Keck telescope in Hawaii, the 6.5-meter MMT of the Smithsonian Astrophysical Observatory in Arizona, and the NASA Hubble Space Telescope. The molecular-line data was obtained in three runs using the IRAM 30-meter telescope in Spain and one run with the ESO-15 meter millimeter-wave telescope in Chile. Millimeter-wave continuum measurements were obtained with the 15-meter JCMT in Hawaii. 2) Considerable effort was expended to reduce the infrared imaging observations including the development of custom software to produce high quality photometry and source astrometry. All the millimeter-line data was reduced using standard reduction routines. The highlights of the infrared analysis were the production of detailed extinction maps and the construction of profiles of the density structure of the B68, Coalsack, B335 and Lupus clouds. 3) The principal scientific accomplishments of this research program include the following: We were able to use our infrared observations to determine the density structure of the B68 cloud to an unprecedented level of precision. This lead to a major breakthrough in the study of molecular cloud structure. For the first time we have been able to characterize the structure of a dark cloud in a detail only exceeded by that known for a star. We determined that the cloud's structure is exquisitely well described by the equations of a Bonner-Ebert sphere (a pressure confined isothermal sphere). We were able to show that the cloud is very nearly in equilibrium with the internal thermal pressure of the cloud balancing gravity and the external pressure of the surrounding interstellar medium. We were able to determine for the first time the gas-to-dust ratio in a dense cloud core. We also demonstrated a new method to determine extremely precise distances to such clouds by combining knowledge of the properties of Bonner-Ebert Spheres with our infrared and millimeter-wave observations.

Lada, Charles J.↗
NASA NTRSDate not supplied

The Nasa SRA Process as It Relates to Open-Source Workflows Developed for GeneLab Data Processing

To release open, standards-compliant processed data sets in the Open Science Data Repository (OSDR), the GeneLab Data Processing team works with the scientific community through the OSDR Analysis Working Groups to design and build open-source data processing pipelines. Once baselined internally, these pipelines are wrapped into workflows and published on the NASA GeneLab Data Processing public GitHub repository along with detailed instructions for installation and use. Each workflow must be approved through NASA's Software Release Authorization (SRA) process prior to publishing. However, the SRA process lacks sufficient documentation and clarity regarding which forms are applicable for new open-source software that utilizes publicly available 3rd party tools, and the SRA process can take several months to complete, making sharing software outside of NASA cumbersome and in contradiction with the concept of Open Science. Furthermore, the SRA process was designed as a one-size fits all approach and thus many of the questions asked are not applicable to our open-source workflows. Here we describe the software provided on the NASA GeneLab Data Processing GitHub repository, summarize our experiences with the SRA process to release these software, and propose a more stream-lined approach for review of open-source projects.

Software Release Authorization↗
NASA NTRSDate not supplied

The NASA SRA Process as it Relates to Open-Source Workflows Developed for GeneLab Data Processing

To release open, standards-compliant processed data sets in the Open Science Data Repository (OSDR), the GeneLab Data Processing team works with the scientific community through the OSDR Analysis Working Groups to design and build open-source data processing pipelines. Once baselined internally, these pipelines are wrapped into workflows and published on the NASA GeneLab Data Processing public GitHub repository along with detailed instructions for installation and use. Each workflow must be approved through NASA's Software Release Authorization (SRA) process prior to publishing. However, the SRA process lacks sufficient documentation and clarity regarding which forms are applicable for new open-source software that utilizes publicly available 3rd party tools, and the SRA process can take several months to complete, making sharing software outside of NASA cumbersome and in contradiction with the concept of Open Science. Furthermore, the SRA process was designed as a one-size fits all approach and thus many of the questions asked are not applicable to our open-source workflows. Here we describe the software provided on the NASA GeneLab Data Processing GitHub repository, summarize our experiences with the SRA process to release these software, and propose a more stream-lined approach for review of open-source projects.

Software Release Authorization↗
DOE OSTI2022

Computer Science Research Needs for Parallel Discrete Event Simulation (PDES)

Historically, scientific computing efforts have demonstrated the clear need for, and effective use of, supercomputing with traditional time-stepped simulations. Nevertheless, there are several areas in the mission spaces of the U.S. Department of Energy and other agencies waiting to tap advanced computing research using a different, discrete event style of modeling, simulation, and analysis. These span a wide spectrum of applications including energy grid resilience, urban planning and policy, transportation science, building technologies, emergency response and planning, environmental impact analysis, computational epidemiology, Internet communications, cyber security, and cyber-physical systems, to name only a few. Even within traditional scientific applications, the role of discrete event modes of execution is increasing in the form of new event-based mathematical solvers such as quantized state integration methods and discrete-continuous hybrid system solvers. Co-design of advanced supercomputing hardware systems is another area that exploits discrete event simulation at its core for effective analyses. Complex systems, entity behaviors and interconnections play a significant role in all these applications, which are mapped to large-scale models with discrete event formulations. To make advancements in all the aforementioned scientific areas, many technical aspects need to be more thoroughly studied and deeply understood in parallel discrete event simulation (PDES). The unique dynamics inherent in a discrete event modeling approach, by their very nature, intersect and influence the entire stack of the computing system, including (a) the unique nature of the instruction sets exercised in PDES workloads without a predominance of high-precision floating point operations, (b) virtual time-constrained multi-threaded execution of many logical processes per processor, (c) extremely variable and difficult to predict network traffic characteristics, (d) interfaces and inter-dependencies with machine learning and artificial intelligence codes at higher software layers, and (e) highly challenging load balancing needs, especially in effectively accounting for accelerated/extremely heterogeneous computing in current and future high-performance computing systems. Efficient and accurate parallel execution of PDES workloads is also dominated by challenges in dealing with their asynchronous concurrency fundamentally present at the model level. Conservative synchronization, optimistic/speculative synchronization, and their hybrid schemes open new questions in fundamental computer science with respect to reversibility of computation and prediction (lookahead) of behaviors inherent within model codes. On the implementation front, there are relatively few scalable, general-purpose parallel discrete event simulators in the world, and even fewer have been studied on emerging hardware platforms. To enable scientific advances using PDES, the research needs in computer science must also be pursued and met in the intersection of the algorithmic and hardware-aware aspects of scalable PDES engines. This report is aimed at capturing a computer science-oriented view of this important area of research in PDES, presenting a sample of important applications with their inherent discrete event technology elements. Needs are outlined in core areas of parallel discrete event research as well as cross-cutting directions in computer science research that positively impact scientific advancements across several important application areas. A selection of priority research opportunities in advanced computing for PDES is identified to serve as reference for key research topics and their order of importance for scientific advancements.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

ADIOS Visualization Schema: A First Step Towards Improving Interdisciplinary Collaboration in High Performance Computing

Scientific communities have benefitted from a significant increase of available computing and storage resources in the last few decades. For science projects that have access to leadership scale computing resources, the capacity to produce data has been growing exponentially. Teams working on such projects must now include, in addition to the traditional application scientists, experts in various disciplines including applied mathematicians for development of algorithms, visualization specialists for large data, and I/O specialists. Sharing of knowledge and data is becoming a requirement for scientific discovery, providing useful mechanisms to facilitate this sharing is a key challenge for e-Science. Our hypothesis is that in order to decrease the time to solution for application scientists we need to lower the barrier of entry into related computing fields. We aim at improving users' experience when interacting with a vast software ecosystem and/or huge amount of data, while maintaining focus on their primary research field. In this context we present our approach to bridge the gap between the application scientists and the visualization experts through a visualization schema as a first step and proof of concept for a new way to look at interdisciplinary collaboration among scientists dealing with big data. The key to our approach is recognizing that our users are scientists who mostly work as islands. They tend to work in very specialized environment but occasionally have to collaborate with other researchers in order to take full advantage of computing innovations and get insight from big data. We present an example of identifying the connecting elements between one of such relationships and offer a liaison schema to facilitate their collaboration.

Computer Science↗
DOE OSTI2017

SDAV Institute Final Report – February 2017

This report is organized into sections and subsections, each covering an area of development and deployment of technologies applied to scientific applications of interest to the Department of Energy. Each sub-section includes: 1) a summary description of the research, development, and deployment carried out, the results and the extent to which the stated project objectives were met; 2) significant results, including major findings, developments, or conclusions; 3) products, such as publications and presentations, software developed, project website(s), technologies or techniques, inventions, awards, etc., and 4) conclusions of the projects and future directions for research, development, and deployment in this technology area.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1985

Pilot climate data system

A usable data base, the Pilot climate Data System (PCDS) is described. The PCDS is designed to be an interactive, easy-to-use, on-line generalized scientific information system. It efficiently provides uniform data catalogs; inventories, and access method, as well as manipulation and display tools for a large assortment of Earth, ocean and atmospheric data for the climate-related research community. Researchers can employ the PCDS to scan, manipulate, compare, display, and study climate parameters from diverse data sets. Software features, and applications of the PCDS are highlighted.

Source record↗
NASA NTRS1992

Thrust-Vector-Control System

Control gains computed via matrix Riccati equation. Software-based system controlling aim of gimbaled rocket motor on spacecraft adaptive and optimal in sense it adjusts control gains in response to feedback, according to optimizing algorithm based on cost function. Underlying control concept also applicable, with modifications, to thrust-vector control on vertical-takeoff-and-landing airplanes, control of orientations of scientific instruments, and robotic control systems.

Murray, Jonathan↗
NASA NTRS2006

Hera - The HEASARC's New Data Analysis Service

Hera is the new computer service provided by the HEASARC at the NASA Goddard Space Flight Center that enables qualified student and professional astronomical researchers to immediately begin analyzing scientific data from high-energy astrophysics missions. All the necessary resources needed to do the data analysis are freely provided by Hera, including: * the latest version of the hundreds of scientific analysis programs in the HEASARC's HEASOFT package, as well as most of the programs in the Chandra CIAO package and the XMM-Newton SAS package. * high speed access to the terabytes of data in the HEASARC's high energy astrophysics Browse data archive. * a cluster of fast Linw workstations to run the software * ample local disk space to temporarily store the data and results. Some of the many features and different modes of using Hera are illustrated in this poster presentation.

Pence, William↗