Results for “scientific software development” — Page 31

NASA NTRS1987

Atmospheric electricity

In the last three years the focus was on the information contained in the lightning measurement, which is independent of other meteorological measurements that can be made from space. The characteristics of lightning activity in mesoscale convective systems were quantified. A strong relationship was found between lightning activity and surface rainfall. It is shown that lightning provides a precursor signature for wet microbursts (the strong downdrafts that produce windshears hazardous to aircraft) and that the lightning signature is a direct consequence of storm evolution. The Universities Space Research Association (USRA) collaborated with NASA scientists in the preliminary analysis and scientific justification for the design and deployment of an optical instrument which can detect lightning from geostationary orbit. Science proposals for the NASA mesoscale science program and for the Tethered Satellite System were reviewed. The weather forecasting research and unmanned space vehicles. Software was written to ingest and analyze the lightning ground strike data on the MSFC McIDAS system. The capabilities which were developed have a wide application to a number of problems associated with the operational impacts of electrical discharge within the atmosphere.

Source record↗

NASA NTRS2013

ISSM: Ice Sheet System Model

In order to have the capability to use satellite data from its own missions to inform future sea-level rise projections, JPL needed a full-fledged ice-sheet/iceshelf flow model, capable of modeling the mass balance of Antarctica and Greenland into the near future. ISSM was developed with such a goal in mind, as a massively parallelized, multi-purpose finite-element framework dedicated to ice-sheet modeling. ISSM features unstructured meshes (Tria in 2D, and Penta in 3D) along with corresponding finite elements for both types of meshes. Each finite element can carry out diagnostic, prognostic, transient, thermal 3D, surface, and bed slope simulations. Anisotropic meshing enables adaptation of meshes to a certain metric, and the 2D Shelfy-Stream, 3D Blatter/Pattyn, and 3D Full-Stokes formulations capture the bulk of the ice-flow physics. These elements can be coupled together, based on the Arlequin method, so that on a large scale model such as Antarctica, each type of finite element is used in the most efficient manner. For each finite element referenced above, ISSM implements an adjoint. This adjoint can be used to carry out model inversions of unknown model parameters, typically ice rheology and basal drag at the ice/bedrock interface, using a metric such as the observed InSAR surface velocity. This data assimilation capability is crucial to allow spinning up of ice flow models using available satellite data. ISSM relies on the PETSc library for its vectors, matrices, and solvers. This allows ISSM to run efficiently on any parallel platform, whether shared or distrib- ISSM: Ice Sheet System Model NASA's Jet Propulsion Laboratory, Pasadena, California uted. It can run on the largest clusters, and is fully scalable. This allows ISSM to tackle models the size of continents. ISSM is embedded into MATLAB and Python, both open scientific platforms. This improves its outreach within the science community. It is entirely written in C/C++, which gives it flexibility in its design, and the power/speed that C/C++ allows. ISSM is svn (subversion) hosted, on a JPL repository, to facilitate its development and maintenance. ISSM can also model propagation of rifts using contact mechanics and mesh splitting, and can interface to the Dakota software. To carry out sensitivity analysis, mesh partitioning algorithms are available, based on the Scotch, Chaco, and Metis partitioners that ensure equal area mesh partitions can be done, which are then usable for sampling and local reliability methods.

Larour, Eric↗

DOE OSTI2022

ECP Software Technology Capability Assessment Report V3.0

The Exascale Computing Project (ECP) Software Technology (ST) focus area is responsible for (1) developing critical software capabilities that will enable the successful execution of ECP applications and (2) providing key components of a productive and sustainable exascale computing ecosystem that will position the US Department of Energy (DOE) and the broader high-performance computing (HPC) community with a firm foundation for future extreme-scale computing capabilities. This ECP ST Capability Assessment Report (CAR) provides an overview and assessment of current ECP ST capabilities and activities, giving stakeholders and the broader HPC community information that can be used to assess ECP ST progress and plan their own efforts accordingly. ECP ST leaders commit to updating this document on regular basis (every 6–12 months). Highlights from this version of the report are presented here. This version of the CAR contains the following updates relative to the previous revision: (1) This report highlights the progress with the Extreme-scale Scientific Software Stack (E4S) efforts. In particular, this report discusses how E4S continues to gain traction as a first-class entity in the HPC ecosystem, enabling new conversations with users, facilities, vendors, other US agencies, and international partners. (2) The several-page summaries of each ECP Level 4 project were updated to reflect recent progress and next steps (Section 4). Of particular note are the experiences of our teams on early-access systems for Frontier. (3) The E4S is described further. E4S is now updated via quarterly releases. E4S is the primary integration and delivery vehicle for ECP ST capabilities (Section 2.1.1). (4) The ECP ST software development kit (SDK) effort further refined its groupings (Section 2.1.2). The ECP ST focus area represents the key bridge between exascale systems and the scientists developing applications that will run on those platforms. ECP ST efforts contribute to approximately 70 software products (Section 2.1.3) in six technical areas (Table 1). Since publishing the previous revision of the CAR, the team has continued to evolve the product dictionary of official product names, which enables more rigorous mapping of ECP ST deliverables to stakeholders (Section 2.1.4).

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Extending Rucio with modern cloud storage support

Rucio is a software framework designed to facilitate scientific collaborations in efficiently organising, managing, and accessing extensive volumes of data through customizable policies. The framework enables data distribution across globally distributed locations and heterogeneous data centres, integrating various storage and network technologies into a unified federated entity. Rucio offers advanced features like distributed data recovery and adaptive replication, and it exhibits high scalability, modularity, and extensibility. Originally developed to meet the requirements of the high-energy physics experiment ATLAS, Rucio has been continuously expanded to support LHC experiments and diverse scientific communities. Recent R&D projects within these communities have evaluated the integration of both private and commercially-provided cloud storage systems, leading to the development of additional functionalities for seamless integration within Rucio. Furthermore, the underlying systems, FTS and GFAL/Davix, have been extended to cater to specific use cases. This contribution focuses on the technical aspects of this work, particularly the challenges encountered in building a generic interface for self-hosted cloud storage, such as MinIO or CEPH S3 Gateway, and established providers like Google Cloud Storage and Amazon Simple Storage Service. Additionally, the integration of decentralised clouds like SEAL is explored. Key aspects, including authentication and authorisation, direct and remote access, throughput and cost estimation, are highlighted, along with shared experiences in daily operations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Enhancing Monte Carlo Workflows for Nuclear Reactor Analysis with Metamodel-Driven Modeling

Monte Carlo codes are essential components of many reactor physics simulation workflows as high-fidelity continuous-energy neutron transport solvers. Among Monte Carlo radiation transport codes, MCNP is particularly notable due to its diverse simulation capabilities, large user base, and long validation history. Despite being a powerful simulation tool, MCNP provides limited capabilities to allow automated execution, model transformation, or support for user-defined logic and abstractions that limit its compatibility with modern workflows. Here, to better integrate MCNP into a modern scientific workflow, we have developed an intuitive yet full-featured MCNP Application Program Interface (API) in Python, named MCNPy, which provides a specialized set of classes for MCNP input development. Moreover, to guarantee that our reading, writing, and modeling capabilities remain self-consistent (and to render the huge scope of the MCNP API manageable), we have adopted a strategy of model-driven software development in which a generalized model of the MCNP input format has been created. From this generalized model, or “metamodel,” problem-specific implementations such as an engine for input validation or a codebase for programmatic operations may be automatically generated. Since MCNPy primarily acts as a Python front-end to the underlying Java API that directly interfaces with the metamodel, it is intrinsically linked to the metamodel and thus remains maintainable. With MCNPy, users can programmatically read, write, and modify any syntactically valid MCNP input file regardless of its origin. These capabilities allow users to automate complicated tasks like design optimization and model translation for nuclear systems. As examples, this work demonstrates the use of MCNPy to find the critical radius of a plutonium sphere and to translate a 9000+ line MCNP input file into a corresponding OpenMC model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1984

Characterizing the scientific potential of satellite sensors

Eleven thematic mapper (TM) radiometric calibration programs were tested and evaluated in support of the task to characterize the potential of LANDSAT TM digital imagery for scientific investigations in the Earth sciences and terrestrial physics. Three software errors related to integer overflow, divide by zero, and nonexist file group were found and solved. Raw, calibrated, and corrected image groups that were created and stored on the Barker2 disk are enumerated. Black and white pixel print files were created for various subscenes of a San Francisco scene (ID 40392-18152). The development of linear regression software is discussed. The output of the software and its function are described. Future work in TM radiometric calibration, image processing, and software development is outlined.

Source record↗

NASA NTRS1993

Design decisions from the history of the EUVE science payload

Some of the design issues that arose during the development of the EUVE science payload and solutions to the problems involved are examined. In particular, attention is given to the use of parallel and serial busses, the selection of the the ROM approach for software storage and execution, implementation of memory error detection and correction, and the selection of command structures. The early design decisions paid off in the timely delivery of the scientific payload and in the successful completion of the survey phase of the EUVE science mission.

Marchant, W.↗

DOE OSTI2024

Democratizing uncertainty quantification

Uncertainty Quantification (UQ) is vital to safety-critical model-based analyses, but the widespread adoption of sophisticated UQ methods is limited by technical complexity. In this paper, we introduce UM-Bridge (the UQ and Modeling Bridge), a high-level abstraction and software protocol that facilitates universal interoperability of UQ software with simulation codes. It breaks down the technical complexity of advanced UQ applications and enables separation of concerns between experts. UM-Bridge democratizes UQ by allowing effective interdisciplinary collaboration, accelerating the development of advanced UQ methods, and making it easy to perform UQ analyses from prototype to High Performance Computing (HPC) scale. In addition, we present a library of ready-to-run UQ benchmark problems, all easily accessible through UM-Bridge. These benchmarks support UQ methodology research, enabling reproducible performance comparisons. We demonstrate UM-Bridge with several scientific applications, harnessing HPC resources even using UQ codes not designed with HPC support.

Benchmarks↗

DOE OSTI2021

Integrated Models for Electrical Distribution Network Planning and District-Scale Building Energy Use

The increase of greenhouse emissions caused by a rise in global energy consumption is pushing the scientific community to develop tools that address key environmental, techno-economic and social issues. One specific area of focus is to create tools that enable the design of high-performance energy districts, including grid-interactive efficient buildings and electrical distribution infrastructure. This paper outlines the approach of integrating a synthetic distribution network tool (RNM-US) with URBANopt™, a modular and customizable software development kit for thermal and electrical modelling of buildings and energy systems at a district scale. First, we describe the algorithms implemented to integrate RNM-US with URBANopt to automatically generate the distribution network for the district considered. Following, we present a case study for the potential uses of the RNM-US integrations with URBANopt, highlighting the capabilities for economic and technical analysis of the distribution network built in relation to the electricity needs of the modelled buildings.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2021

Co-design Center for Exascale Machine Learning Technologies (ExaLearn)

We report rapid growth in data, computational methods, and computing power is driving a remarkable revolution in what variously is termed machine learning (ML), statistical learning, computational learning, and artificial intelligence. In addition to highly visible successes in machine-based natural language translation, playing the game Go, and self-driving cars, these new technologies also have profound implications for computational and experimental science and engineering, as well as for the exascale computing systems that the Department of Energy (DOE) is developing to support those disciplines. Not only do these learning technologies open up exciting opportunities for scientific discovery on exascale systems, they also appear poised to have important implications for the design and use of exascale computers themselves, including high-performance computing (HPC) for ML and ML for HPC. The overarching goal of the ExaLearn co-design project is to provide exascale ML software for use by Exascale Computing Project (ECP) applications, other ECP co-design centers, and DOE experimental facilities and leadership class computing facilities.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

SMART-COM – Scalable Multi-Agent Adaptive Resolution Tools for Collaborative Outage Management

The purpose of this grant was to conduct scientific research and prototype applications to support NPP outage staff in their adaptive decision-making in efficient scheduling and resource allocation while preventing violation of safety technical specifications. The project contributed to scientific knowledge and engineering methods in (1) user interface design, (2) scheduling optimization and risk estimation, and (2) natural language processing that would benefit the nuclear power plants in minimizing schedule overruns and even unexpected shutdowns. The research team conducted site visits at a test reactor facility and an operating nuclear power plant to gather necessary information and inputs for research and development of a software application to support NPP staff in executing their outages. The final software application consisted of three modules. First, the natural language processing module supports interactive processing of technical documentation to build a database for outage staff to query non-permissible actions on system components. This module can alleviate outage staff from reviewing extensive documentation and minimize violation of technical specifications, especially in time-sensitive situations. Second, the schedule optimization module schedules outage activities and compute risk indices that outperform existing software and current practice. This module can reduce completion time of an outage that typically have too many activities for human to optimize based on current practice that does not apply the latest operations research. Finally, the visualization module presents progress and risk information of the overall outage and individual activities, as well as enabling access to the natural language processing and schedule optimization modules. This module can provide outage staff with situation awareness that are necessary to make risk-informed decisions in response to unexpected events during the execution of an outage.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRSDate not supplied

Developing a Vision for Heliophysics Infrastructure: The LIKED Resource and the DIARieS Ecosystem

Heliophysics data and computational infrastracture are not equipped for 21st science, suffering from holes in the know-how to build better systems. Without a clear vision, efforts to improve the infrastructure have been incremental and incoherent. This poster presents both the vision and the technology required: an online LIbrary KnowledgE and Discovery (LIKED) resource for discovering and implementing knowledge, data, and infrastructure resources; and an online analysis ecosystem to simplify Discovery, Implementation, Analysis, Reproducibility, and Sharing (DIARieS) of scientific results and environments. The LIKED and DIARieS solutions adopt FAIR data principles and the best practices from the budding field of open science. The proposed new infrastructure components will close many of the current gaps in heliophysics’ infrastructure, such as the ability to search for data and knowledge by phenomenon across domains, and to find software and examples relevant to the desired data set (including model data). Further, these components will enable community members to more efficiently use the resources already present and improve upon the content via a community-curated and trusted library. Combining these solutions lowers the barriers to heliophysics resources for all, increasing the return on our investments. Finally, the structure behind these ideas are topic-agnostic, so they are fully extensible to other fields, leading to invaluable connections to other disciplines. Just as with the development and construction of a long-term satellite mission, we must work together as a community to build a vision of the infrastructure that will most benefit the community, and then collaborate to construct, assemble, and test all the necessary pieces individually and as a unit. Our purpose in presenting this work is to not only describe the proposed vision, but also to gather feedback from the community on this topic.

infrastructure↗

DOE OSTI2025

Hybrid learning techniques for scientific data reduction with performance guarantees

The research initiatives supported by the U.S. Department of Energy (DOE) Grant DE-SC0022265 are fundamentally aimed at pioneering advanced machine learning (ML) techniques for scientific data compression within high-performance computing (HPC) environments. This comprehensive body of work addresses the critical challenge posed by the exponential growth of data generated by scientific simulations in domains such as fusion energy, climate modeling, and computational fluid dynamics (CFD). A core objective is to develop compression algorithms that achieve substantial data reduction—often by orders of magnitude—while rigorously ensuring the fidelity of both the primary data (PD) and scientifically crucial derived quantities of interest (QoI). The methodologies deployed under this grant integrate sophisticated deep learning architectures, prominently featuring autoencoders, advanced generative models like conditional diffusion, and hybrid learning techniques. Key innovations include the development of Guaranteed Autoencoders (GAE) and the Guaranteed Conditional Diffusion with Tensor Correction (GCDTC) framework, which provide explicit, instance-level error bounds on reconstructed data. Furthermore, specialized strategies such as nonlinear constraint satisfaction are employed to preserve the integrity of QoI, a vital requirement for the trustworthiness of downstream scientific analyses. This research also focuses on the design and implementation of scalable, GPU-accelerated software pipelines that seamlessly integrate into existing HPC workflows, ensuring both computational efficiency and practical applicability. The CAESAR framework, for example, unifies foundation and generative models to create an adaptive and efficient compression solution for spatio-temporal scientific data. Collectively, these efforts represent a significant advancement in mitigating the scientific data deluge, enabling more effective data management, accelerated scientific discovery, and optimized utilization of HPC resources.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Final report- UFL - RAPIDS2: A SciDAC Institute for Computer Science, Data, and Artificial Intelligence

The research initiatives supported by the U.S. Department of Energy (DOE) Grant DE-SC0022265 are fundamentally aimed at pioneering advanced machine learning (ML) techniques for scientific data compression within high-performance computing (HPC) environments. This comprehensive body of work addresses the critical challenge posed by the exponential growth of data generated by scientific simulations in domains such as fusion energy, climate modeling, and computational fluid dynamics (CFD). A core objective is to develop compression algorithms that achieve substantial data reduction—often by orders of magnitude—while rigorously ensuring the fidelity of both the primary data (PD) and scientifically crucial derived quantities of interest (QoI). The methodologies deployed under this grant integrate sophisticated deep learning architectures, prominently featuring autoencoders, advanced generative models like conditional diffusion, and hybrid learning techniques. Key innovations include the development of Guaranteed Autoencoders (GAE) and the Guaranteed Conditional Diffusion with Tensor Correction (GCDTC) framework, which provide explicit, instance-level error bounds on reconstructed data. Furthermore, specialized strategies such as nonlinear constraint satisfaction are employed to preserve the integrity of QoI, a vital requirement for the trustworthiness of downstream scientific analyses. This research also focuses on the design and implementation of scalable, GPU-accelerated software pipelines that seamlessly integrate into existing HPC workflows, ensuring both computational efficiency and practical applicability. The CAESAR framework, for example, unifies foundation and generative models to create an adaptive and efficient compression solution for spatio-temporal scientific data. Collectively, these efforts represent a significant advancement in mitigating the scientific data deluge, enabling more effective data management, accelerated scientific discovery, and optimized utilization of HPC resources.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1998

International Solar-Terrestrial Program Key Parameter Visualization Tool Data: USA_NASA_DDF_ISTP_KP_0057

The Global Geospace Science Program (GGS) is designed to improve greatly the understanding of the flow of energy, mass and momentum in the solar-terrestrial environment with particular emphasis on "Geospace". The Global Geospace Science Program is the US contribution to the International Solar-Terrestrial Physics (ISTP) Science Initiative. This CD-ROM issue describes the WIND and POLAR spacecraft, the scientific experiments carried onboard, the Theoretical and Ground Based investigations which constitute the US Global Geospace Science Program and the ISTP Data Systems which support the data acquisition and analysis effort. The International Solar-Terrestrial Physics Program (ISTP) Key Parameter Visualization Tool (KPVT), provided on the CD-ROM, was developed at the ISTP Science Planning and Operations Facility (SPOF). The KPVT is a generic software package for visualizing the key parameter data produced from all ISTP missions, interactively and simultaneously. The tool is designed to facilitate correlative displays of ISTP data from multiple spacecraft and instruments, and thus the selection of candidate events and data quality control. The software, written in IDL, includes a graphical/widget user interface, and runs on many platforms, including various UNIX workstations, Alpha/Open VMS, Macintosh (680x0 and PowerPC), and PC/Windows NT, Windows 3.1, and Windows 95.

Ocuna, M. H.↗

NASA NTRS1998

International Solar-Terrestrial Program Key Parameter Visualization Tool Data: USA_NASA_DDF_ISTP_KP_0056

The Global Geospace Science Program (GGS) is designed to improve greatly the understanding of the flow of energy, mass and momentum in the solar-terrestrial environment with particular emphasis on "Geospace". The Global Geospace Science Program is the US contribution to the International Solar-Terrestrial Physics (ISTP) Science Initiative. This CD-ROM issue describes the WIND and POLAR spacecraft, the scientific experiments carried onboard, the Theoretical and Ground Based investigations which constitute the US Global Geospace Science Program and the ISTP Data Systems which support the data acquisition and analysis effort. The International Solar-Terrestrial Physics Program (ISTP) Key Parameter Visualization Tool (KPVT), provided on the CD-ROM, was developed at the ISTP Science Planning and Operations Facility (SPOF). The KPVT is a generic software package for visualizing the key parameter data produced from all ISTP missions, interactively and simultaneously. The tool is designed to facilitate correlative displays of ISTP data from multiple spacecraft and instruments, and thus the selection of candidate events and data quality control. The software, written in IDL, includes a graphical/widget user interface, and runs on many platforms, including various UNIX workstations, Alpha/Open VMS, Macintosh (680x0 and PowerPC), and PC/Windows NT, Windows 3.1, and Windows 95.

Ocuna, M. H.↗

NASA NTRS1998

International Solar-Terrestrial Program Key Parameter Visualization Tool Data: USA_NASA_DDF_ISTP_IM_KP_0034

The Global Geospace Science Program (GGS) is designed to improve greatly the understanding of the flow of energy, mass and momentum in the solar-terrestrial environment with particular emphasis on "Geospace". The Global Geospace Science Program is the US contribution to the International Solar-Terrestrial Physics (ISTP) Science Initiative. This CD-ROM issue describes the WIND and POLAR spacecraft, the scientific experiments carried onboard, the Theoretical and Ground Based investigations which constitute the US Global Geospace Science Program and the ISTP Data Systems which support the data acquisition and analysis effort. The International Solar-Terrestrial Physics Program (ISTP) Key Parameter Visualization Tool (KPVT), provided on the CD-ROM, was developed at the ISTP Science Planning and Operations Facility (SPOF). The KPVT is a generic software package for visualizing the key parameter data produced from all ISTP missions, interactively and simultaneously. The tool is designed to facilitate correlative displays of ISTP data from multiple spacecraft and instruments, and thus the selection of candidate events and data quality control. The software, written in IDL, includes a graphical/widget user interface, and runs on many platforms, including various UNIX workstations, Alpha/Open VMS, Macintosh (680x0 and PowerPC), and PC/Windows NT, Windows 3.1, and Windows 95.

Ocuna, M. H.↗

NASA NTRS1998

International Solar-Terrestrial Program Key Parameter Visualization Tool Data: USA_NASA_DDF_ISTP_IM_KP_0033

The Global Geospace Science Program (GGS) is designed to improve greatly the understanding of the flow of energy, mass and momentum in the solar-terrestrial environment with particular emphasis on "Geospace". The Global Geospace Science Program is the US contribution to the International Solar-Terrestrial Physics (ISTP) Science Initiative. This CD-ROM issue describes the WIND and POLAR spacecraft, the scientific experiments carried onboard, the Theoretical and Ground Based investigations which constitute the US Global Geospace Science Program and the ISTP Data Systems which support the data acquisition and analysis effort. The International Solar-Terrestrial Physics Program (ISTP) Key Parameter Visualization Tool (KPVT), provided on the CD-ROM, was developed at the ISTP Science Planning and Operations Facility (SPOF). The KPVT is a generic software package for visualizing the key parameter data produced from all ISTP missions, interactively and simultaneously. The tool is designed to facilitate correlative displays of ISTP data from multiple spacecraft and instruments, and thus the selection of candidate events and data quality control. The software, written in IDL, includes a graphical/widget user interface, and runs on many platforms, including various UNIX workstations, Alpha/Open VMS, Macintosh (680x0 and PowerPC), and PC/Windows NT, Windows 3.1, and Windows 95.

Ocuna, M. H.↗