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All sources NASA NTRS DOE OSTI

DOE OSTI2025

Report of the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science

This report summarizes insights from the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science, which convened more than 40 experts from national laboratories, academia, industry, and community organizations to chart a path toward more powerful, sustainable, and collaborative scientific software ecosystems. To address urgent challenges at the intersection of high-performance computing (HPC), AI, and scientific software, participants envisioned agile, robust ecosystems built through socio-technical co-design—the intentional integration of social and technical components as interdependent parts of a unified strategy. This approach combines advances in AI, HPC, and software with new models for cross-disciplinary collaboration, training, and workforce development. Key recommendations include building modular, trustworthy AI-enabled scientific software systems; enabling scientific teams to integrate AI systems into their workflows while preserving human creativity, trust, and scientific rigor; and creating innovative training pipelines that keep pace with rapid technological change. Pilot projects were identified as near-term catalysts, with initial priorities focused on hybrid AI/HPC infrastructure, cross-disciplinary collaboration and pedagogy, responsible AI guidelines, and prototyping of public-private partnerships. This report presents a vision of next-generation ecosystems for scientific computing where AI, software, hardware, and human expertise are interwoven to drive discovery, expand access, strengthen the workforce, and accelerate scientific progress.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Measuring Thread Timing to Assess the Feasibility of Early-Bird Message Delivery Across Systems and Scales

Early-bird communication is a communication/computation overlap technique that leverages fine-grained communication to improve application run-time. Communication is divided such that each individual thread can initiate transmission of its portion of the data upon completion rather than waiting for a dedicated communication phase. The benefit of early-bird communication depends on the completion timing of the individual threads: On the one hand, if all threads are complete at nearly the same time, the overheads of sending multiple messages will accumulate, leading to performance that is worse than if a single message had been sent. On the other hand, if thread completions are spread out in time, those that complete earlier can send data while others continue working, leading to performance that is better than if a single message had been sent. The challenge is that the completion times are currently unknown and can vary based on application, problem size, system software, and underlying hardware. In this paper, we address this lacuna by measuring and evaluating the potential overlap afforded by early-bird communication for a selection of proxy applications. These measurements help us understand whether a given application could benefit from early-bird communication. Here, we present our technique for gathering this data and evaluate data collected from three proxy applications: MiniFE, MiniMD, and MiniQMC. Each application is run on three systems with distinct CPU architectures and strong scales across three run sizes. To characterize the behavior of these workloads, we study the trends of thread timings at both a macro level, across all threads across all runs of an application, and a micro level, that is, within a single process of a single run. We observe that our tested applications exhibit significantly different thread arrival distributions. The machine used had a significant impact, with the window of potential overlap varying by as much as an order of magnitude.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2007

General Mission Analysis Tool (GMAT)

The General Mission Analysis Tool (GMAT) is a space trajectory optimization and mission analysis system developed by NASA and private industry in the spirit of the NASA Mission. GMAT contains new technology and is a testbed for future technology development. The goal of the GMAT project is to develop new space trajectory optimization and mission design technology by working inclusively with ordinary people, universities, businesses, and other government organizations, and to share that technology in an open and unhindered way. GMAT is a free and open source software system licensed under the NASA Open Source Agreement: free for anyone to use in development of new mission concepts or to improve current missions, freely available in source code form for enhancement or further technology development.

Hughes, Steven P.↗

DOE OSTI2014

Feasibility Study of Implementing a Mobile Collaborative Information Platform for International Safeguards Inspections

In response to the growing pervasiveness of mobile technologies such as tablets and smartphones, the International Atomic Energy Agency and the U.S. Department of Energy National Laboratories have been exploring the potential use of these platforms for international safeguards activities. Specifically of interest are information systems (software, and accompanying servers and architecture) deployed on mobile devices to increase the situational awareness and productivity of an IAEA safeguards inspector in the field, while simultaneously reducing paperwork and pack weight of safeguards equipment. Exploratory development in this area has been met with skepticism regarding the ability to overcome technology deployment challenges for IAEA safeguards equipment. This report documents research conducted to identify potential challenges for the deployment of a mobile collaborative information system to the IAEA, and proposes strategies to mitigate those challenges.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1987

Verifying shuttle onboard software using expert systems

The Space Shuttle uses a complex set of software to guide, navigate, and control it through all phases of flight. Adding to the complexity is the fact that the software is reconfigured for each flight, i.e., thousands of constants in the software are changed to reflect the unique properties of a given mission. In the last level of tests, the software is flown through end to end nominal and abort scenarios taking the shuttle from liftoff to landing. The analysis of the results of the testing is experience and labor intensive. A set of pass/fail criteria were defined for each test case and in parallel with the knowledge acquisition, tools were developed which allowed the automation of the knowledge being gathered on paper. A prototype of the Analysis Criteria Expert System (ACES) was put into production in the verification of the reconfigured onboard flight software.

Wingert, William B.↗

DOE OSTI2016

Motion control system of MAX IV Laboratory soft x-ray beamlines

At the MAX IV Laboratory, five new soft x-ray beamlines are under development. The first is Species and it will be used to develop and set the standard of the control system, which will be common across the facility. All motion axes at MAX IV will be motorized using stepper motors steered by the IcePAP motion controller and a mixture of absolute and incremental encoders following a predefined coordinate system. The control system software is built in Tango and uses the Python-based Sardana framework. The user controls the entire beamline through a synoptic overview and Sardana is used to run the scans.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1989

Assessment team report on flight-critical systems research at NASA Langley Research Center

The quality, coverage, and distribution of effort of the flight-critical systems research program at NASA Langley Research Center was assessed. Within the scope of the Assessment Team's review, the research program was found to be very sound. All tasks under the current research program were at least partially addressing the industry needs. General recommendations made were to expand the program resources to provide additional coverage of high priority industry needs, including operations and maintenance, and to focus the program on an actual hardware and software system that is under development.

Siewiorek, Daniel P.↗

NASA NTRS2003

Secured Advanced Federated Environment (SAFE): A NASA Solution for Secure Cross-Organization Collaboration

This paper discusses the challenges and security issues inherent in building complex cross-organizational collaborative projects and software systems within NASA. By applying the design principles of compartmentalization, organizational hierarchy and inter-organizational federation, the Secured Advanced Federated Environment (SAFE) is laying the foundation for a collaborative virtual infrastructure for the NASA community. A key element of SAFE is the Micro Security Domain (MSD) concept, which balances the need to collaborate and the need to enforce enterprise and local security rules. With the SAFE approach, security is an integral component of enterprise software and network design, not an afterthought.

Chow, Edward↗

DOE OSTI2025

Code Coverage Status of the ARC Code PERSENT

The Argonne Reactor Code (ARC) software system supports users in their fast reactor design goals by providing neutronic, thermal-hydraulic, and structural analysis capabilities. PERSENT fulfills the role of generating reactivity coefficients for a given time point of a REBUS calculation usable in a point kinetics based safety analysis capability. PERSENT also provides a sensitivity coefficient capability on eigenvalue, reactivity worth, and several other key coefficients that are used in the follow-on safety analysis. Given a co-variance matrix, PERSENT can carry out the uncertainty quantification to indicate the amount of error in the reactivity coefficients derived from the errors in the cross section measurements. With continued improvement of computational resources, many of the geometry modeling capabilities in DIF3D that were primarily used in low order schemes are not really needed anymore. Today, the diffusion and transport capabilities of DIF3D-VARIANT are primarily used in the reactor design process with some scattered usage of DIF3D-FD and DIF3D-Nodal. PERSENT is part of the ARC code system and is built around DIF3D-VARIANT and the flux solution it provides. The purpose of the present work is to identify a set of test problems for PERSENT and assess the code coverage of PERSENT for those test problems. PERSENT treats the DIF3D executable as an external executable and thus the code coverage considerations only need to focus on the PERSENT source code and only a fraction of the connected modules in the existing ARC software library. The goal is to document what parts of the existing PERSENT code are touched by the set of test problems and which are not. Because the verification work done on PERSENT was focused on the most common uses of PERSENT for fast reactor analysis, the code coverage assessment of those capabilities is the highest priority. This will ensure that nothing is being missed by the existing verification test problems that users of PERSENT rely upon. The code coverage analysis of PERSENT was performed with the Code Coverage Tool of the Intel Fortran compiler which requires modifications to the compilation of PERSENT. The detailed coverage tables are given for each submodule of PERSENT. Most of the uncovered parts/files could be easily ignored because they are either for error message and debugging output or not needed by PERSENT today. Only a few uncovered parts of PERSENT deserve extending the verification test suite.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2003

Countermeasure Evaluation and Validation Project (CEVP) Database Requirement Documentation

The initial focus of the project by the JSC laboratories will be to develop, test and implement a standardized complement of integrated physiological test (Integrated Testing Regimen, ITR) that will examine both system and intersystem function, and will be used to validate and certify candidate countermeasures. The ITR will consist of medical requirements (MRs) and non-MR core ITR tests, and countermeasure-specific testing. Non-MR and countermeasure-specific test data will be archived in a database specific to the CEVP. Development of a CEVP Database will be critical to documenting the progress of candidate countermeasures. The goal of this work is a fully functional software system that will integrate computer-based data collection and storage with secure, efficient, and practical distribution of that data over the Internet. This system will provide the foundation of a new level of interagency and international cooperation for scientific experimentation and research, providing intramural, international, and extramural collaboration through management and distribution of the CEVP data. The research performed this summer includes the first phase of the project. The first phase of the project is a requirements analysis. This analysis will identify the expected behavior of the system under normal conditions and abnormal conditions; that could affect the system's ability to produce this behavior; and the internal features in the system needed to reduce the risk of unexpected or unwanted behaviors. The second phase of this project have also performed in this summer. The second phase of project is the design of data entry screen and data retrieval screen for a working model of the Ground Data Database. The final report provided the requirements for the CEVP system in a variety of ways, so that both the development team and JSC technical management have a thorough understanding of how the system is expected to behave.

Shin, Sung Y.↗

DOE OSTI2014

SU-E-J-129: A Strategy to Consolidate the Image Database of a VERO Unit Into a Radiotherapy Management System

Purpose: To present a strategy to integrate the imaging database of a VERO unit with a treatment management system (TMS) to improve clinical workflow and consolidate image data to facilitate clinical quality control and documentation. Methods: A VERO unit is equipped with both kV and MV imaging capabilities for IGRT treatments. It has its own imaging database behind a firewall. It has been a challenge to transfer images on this unit to a TMS in a radiation therapy clinic so that registered images can be reviewed remotely with an approval or rejection record. In this study, a software system, iPump-VERO, was developed to connect VERO and a TMS in our clinic. The patient database folder on the VERO unit was mapped to a read-only folder on a file server outside VERO firewall. The application runs on a regular computer with the read access to the patient database folder. It finds the latest registered images and fuses them in one of six predefined patterns before sends them via DICOM connection to the TMS. The residual image registration errors will be overlaid on the fused image to facilitate image review. Results: The fused images of either registered kV planar images or CBCT images are fully DICOM compatible. A sentinel module is built to sense new registered images with negligible computing resources from the VERO ExacTrac imaging computer. It takes a few seconds to fuse registered images and send them to the TMS. The whole process is automated without any human intervention. Conclusion: Transferring images in DICOM connection is the easiest way to consolidate images of various sources in your TMS. Technically the attending does not have to go to the VERO treatment console to review image registration prior delivery. It is a useful tool for a busy clinic with a VERO unit.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2013

SciDAC-Center for Plasma Edge Simulation Report

The Common Component Architecture (CCA) effort is the embodiment of a long-range program of research and development into the formulation, roles, and use of component technologies in high-performance scientific computing. CCA components can interoperate with other components in a variety of frameworks, including SCIRun2 from the University of Utah. The SCIRun2 framework is also developing the ability to connect components from a variety of different models through a mechanism called meta-components. The meta component model operates by providing a plugin architecture for component models. Abstract components are manipulated and managed by the SCIRun2 framework, while concrete component models perform the actual work and communicate with each other directly. We will leverage the SCIRun2 framework and the Kepler system to orchestrate components in the Fusion Simulation Project (FSP) and to provide a CCA-based interface with Kepler. The groundwork for this functionality is being performed with the Scientific Data Management center. The SDM center is developing CCA-compliant interfaces for expressing and executing workflows and create workflow components based on SCIRun and Ptolemy (Kepler) execution engines, including development of uniform interfaces for selecting, starting, and monitoring scientific workflows. Accomplishments include Introduction to CCA and Simulation Software Systems, Introduction into SCIRun2 and Bridging within SCIRun2, CCALoop: A scalable design for a distributed component framework, and Combining Workflow methodologies with Component Architectures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1973

A programmable computer interface for CAMAC

An interface has been developed for CAMAC instrumentation systems that implements data transfers controlled either by the computer CPU or by an autonomous (data-channel) processor in the interface unit. The data channel processor executes programs stored in the computer memory. These programs consist of standard CAMAC module commands plus special control characters and commands for the processor itself. The interface was built for the PDP-15 computer, which has an 18-bit word structure, but both 18- and 24-bit data transfers can be made. A software system has been written that exploits the many features of the processor.

Bercaw, R. W.↗

NASA NTRS1990

National plan to enhance aviation safety through human factors improvements

The purpose of this section of the plan is to establish a development and implementation strategy plan for improving safety and efficiency in the Air Traffic Control (ATC) system. These improvements will be achieved through the proper applications of human factors considerations to the present and future systems. The program will have four basic goals: (1) prepare for the future system through proper hiring and training; (2) develop a controller work station team concept (managing human errors); (3) understand and address the human factors implications of negative system results; and (4) define the proper division of responsibilities and interactions between the human and the machine in ATC systems. This plan addresses six program elements which together address the overall purpose. The six program elements are: (1) determine principles of human-centered automation that will enhance aviation safety and the efficiency of the air traffic controller; (2) provide new and/or enhanced methods and techniques to measure, assess, and improve human performance in the ATC environment; (3) determine system needs and methods for information transfer between and within controller teams and between controller teams and the cockpit; (4) determine how new controller work station technology can optimally be applied and integrated to enhance safety and efficiency; (5) assess training needs and develop improved techniques and strategies for selection, training, and evaluation of controllers; and (6) develop standards, methods, and procedures for the certification and validation of human engineering in the design, testing, and implementation of any hardware or software system element which affects information flow to or from the human.

Foushee, Clay↗

NASA NTRS1999

Spaceflight Validation of Hzetrn Code

HZETRN is being developed as a fast deterministic radiation transport code applicable to neutrons, protons, and multiply charged ions in the space environment. It was recently applied to 50 hours of IMP8 data measured during the August 4, 1972 solar event to map the hourly exposures within the human body under several shield configurations. This calculation required only 18 hours on a VAX 4000 machine. A similar calculation using the Monte Carlo method would have required two years of dedicated computer time. The code has been benchmarked against well documented and tested Monte Carlo proton transport codes with good success. The code will allow important trade studies to be made with relative ease due to the computational speed and will be useful in assessing design alternatives in an integrated system software environment. Since there are no well tested Monte Carlo codes for HZE particles, we have been engaged in flight validation of the HZETRN results. To date we have made comparison with TEPC, CR-39, charge particle telescopes, and Bonner spheres. This broad range of detectors allows us to test a number of functions related to differing physical processes which add to the complicated radiation fields within a spacecraft or the human body, which functions can be calculated by the HZETRN code system. In the present report we will review these results.

Wilson, J. W.↗

NASA NTRS1976

SSL: A software specification language

SSL (Software Specification Language) is a new formalism for the definition of specifications for software systems. The language provides a linear format for the representation of the information normally displayed in a two-dimensional module inter-dependency diagram. In comparing SSL to FORTRAN or ALGOL, it is found to be largely complementary to the algorithmic (procedural) languages. SSL is capable of representing explicitly module interconnections and global data flow, information which is deeply imbedded in the algorithmic languages. On the other hand, SSL is not designed to depict the control flow within modules. The SSL level of software design explicitly depicts intermodule data flow as a functional specification.

Austin, S. L.↗

NASA NTRS1977

A real-time, dual processor simulation of the rotor system research aircraft

A real-time, man-in-the loop, simulation of the rotor system research aircraft (RSRA) was conducted. The unique feature of this simulation was that two digital computers were used in parallel to solve the equations of the RSRA mathematical model. The design, development, and implementation of the simulation are documented. Program validation was discussed, and examples of data recordings are given. This simulation provided an important research tool for the RSRA project in terms of safe and cost-effective design analysis. In addition, valuable knowledge concerning parallel processing and a powerful simulation hardware and software system was gained.

Mackie, D. B.↗

NASA NTRS2006

Power User Interface

Power User Interface 5.0 (PUI) is a system of middleware, written for expert users in the Earth-science community, PUI enables expedited ordering of data granules on the basis of specific granule-identifying information that the users already know or can assemble. PUI also enables expert users to perform quick searches for orderablegranule information for use in preparing orders. PUI 5.0 is available in two versions (note: PUI 6.0 has command-line mode only): a Web-based application program and a UNIX command-line- mode client program. Both versions include modules that perform data-granule-ordering functions in conjunction with external systems. The Web-based version works with Earth Observing System Clearing House (ECHO) metadata catalog and order-entry services and with an open-source order-service broker server component, called the Mercury Shopping Cart, that is provided separately by Oak Ridge National Laboratory through the Department of Energy. The command-line version works with the ECHO metadata and order-entry process service. Both versions of PUI ultimately use ECHO to process an order to be sent to a data provider. Ordered data are provided through means outside the PUI software system.

Pfister, Robin↗