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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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DOE OSTI2017

Improving Uintah's Scalability Through the Use of Portable Kokkos-Based Data Parallel Tasks

The University of Utah’s Carbon Capture Multidisciplinary Simulation Center (CCMSC) is using the Uintah Computational Framework to predict performance of a 1000 MWe ultra-supercritical clean coal boiler. The center aims to utilize the Intel Xeon Phi-based DOE systems, Theta and Aurora, through the Aurora Early Science Program by using the Kokkos C++ library to enable node-level performance portability. This paper describes infrastructure advancements and portability improvements made possible by the integration of Kokkos within Uintah. This integration marks a step towards consolidating Uintah’s MPI+PThreads and MPI+CUDA hybrid parallelism approaches into a single MPI+Kokkos approach. Scalability results are presented that compare serial and data parallel task execution models for a challenging radiative heat transfer calculation, central to the center’s predictive boiler simulations. Here, these results demonstrate both good strong-scaling characteristics to 256 Knights Landing (KNL) processors on the NSF Stampede system, and show the KNL-based calculation to compete with prior GPU-based results for the same calculation.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Synchronization for CXL Based Memory

Compute Express Link (CXL) is an important emerging standard for disaggregated memory. While this standard provisions coherency across numerous hosts and devices, implementing hardware support for type three devices is challenging. In this work, we look at the overhead of software synchronization and using software-based coherency. Moreover, we discuss the limits of software-based coherency in fully expressing modern synchronization techniques for a CXL-based disaggregate memory system. We demonstrate our approach using a CXL hardware prototype and running a version of the famous Peterson Lock (enhanced to run with more than two threads). We analyze its performance and share how more advanced synchronization techniques might interact with software-based coherence CXL hardware and program execution models.

High Performance Computing (HPC)↗

DOE OSTI2026

T-FSM: A Scalable Distributed Task-Based System for Frequent Subgraph Pattern Mining from a Big Graph

Finding frequent subgraph patterns in a big graph is an important problem with many applications such as classifying chemical compounds and building indexes to speed up graph queries. Since this problem is NP-hard, some recent parallel and distributed systems have been developed to accelerate the mining. However, they often have a huge memory cost, very long running time, suboptimal load balancing, poor scale-out capability, and possibly inaccurate results. In this article, we propose an efficient system called T-FSM for parallel mining of frequent subgraph patterns in a big graph. T-FSM supports a new anti-monotonic frequentness measure called Fraction-Score, which is more accurate than the widely used MNI measure. The execution engine of T-FSM supports both intra-machine parallelism and inter-machine parallelism. For intra-machine parallelism, T-FSM adopts a novel task-based execution model to ensure high multithreading concurrency, bounded memory consumption, and effective load balancing. For inter-machine parallelism, T-FSM ensures good scale-out performance with a lightweight pattern rebalancing approach that reduces workload skewness of pattern evaluations among machines. To avoid recomputing the contexts for migrated patterns, we design a novel context cache table to support concurrent and asynchronous requesting and caching of remote context data, which can timely evict and garbage collect used pattern contexts that are no longer needed to keep memory consumption bounded. Extensive experiments show that T-FSM is orders of magnitude faster than existing state-of-the-art parallel systems (more than 10×, 51×, 131×, 55× speedup over ScaleMine, DistGraph, Pangolin and Peregrine, respectively) and distributed systems (more than 42× and 88× over ScaleMine and DistGraph, respectively) for frequent subgraph pattern mining, and it scales out satisfactorily to 512 CPU cores on the Polaris supercomputer at Argonne National Laboratory.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

The LCLStream Ecosystem for Multi-Institutional Dataset Exploration

We describe a new end-to-end experimental data streaming framework designed from the ground up to support new types of applications – AI training, extremely high-rate X-ray time-of-flight analysis, crystal structure determination with distributed processing, and custom data science applications and visualizers yet to be created. Throughout, we use design choices merging cloud microservices with traditional HPC batch execution models for security and flexibility. This project makes a unique contribution to the DOE Integrated Research Infrastructure (IRI) landscape. By creating a flexible, API-driven data request service, we address a significant need for high-speed data streaming sources for the X-ray science data analysis community. With the combination of data request API, mutual authentication web security framework, job queue system, high-rate data buffer, and complementary nature to facility infrastructure, the LCLStreamer framework has prototyped and implemented several new paradigms critical for future generation experiments.

Rogers, David [ORNL] (ORCID:0000000251871768)↗

DOE OSTI2026

Dataset for Blueprinting Electrified Transit System Implementation

This dataset contains the figures and tabulated results generated from a system-level optimization study of transit fleet electrification planning. The dataset does not include executable modeling code required to reproduce the optimization. The dataset includes results for optimized charging infrastructure deployment by location and power level and service block assignments by fuel type, battery capacity selections, and distributed energy resource sizing. It also contains aggregated financial results, capital expenditures, operating cost summaries, net present cost comparisons across scenarios, and quantified air quality impacts. Results are structured to reflect multiple planning scenarios, including heuristic electrification plans, system-optimized configurations, and sensitivity cases with alternative objective weightings. The modeling was developed using publicly available General Transit Feed Specification data from Omnitrans and standardized modeling assumptions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2026

Dataset for Blueprinting Electrified Transit System Implementation

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2017

Challenges & Roadmap for Beyond CMOS Computing Simulation.

Simulating HPC systems is a difficult task and the emergence of “Beyond CMOS” architectures and execution models will increase that difficulty. This document presents a “tutorial” on some of the simulation challenges faced by conventional and non-conventional architectures (Section 1) and goals and requirements for simulating Beyond CMOS systems (Section 2). These provide background for proposed short- and long-term roadmaps for simulation efforts at Sandia (Sections 3 and 4). Additionally, a brief explanation of a proof-of-concept integration of a Beyond CMOS architectural simulator is presented (Section 2.3).

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

End-to-end Provenance Traceability and Reproducibility Through "Palletized'' Simulation Data

Trusting simulation output is crucial for Sandia's mission objectives. We rely on these simulations to perform our high-consequence mission tasks given our treaty obligations. Other science and modelling needs, while they may not be high-consequence, still require the strongest levels of trust to enable using the result as the foundation for both practical applications and future research. To this end, the computing community has developed work- flow and provenance systems to aid in both automating simulation and modelling execution, but to also aid in determining exactly how was some output created so that conclusions can be drawn from the data. Current approaches for workflows and provenance systems are all at the user level and have little to no system level support making them fragile, difficult to use, and incomplete solutions. The introduction of container technology is a first step towards encapsulating and tracking artifacts used in creating data and resulting insights, but their current implementation is focused solely on making it easy to deploy an application in an isolated "sandbox" and maintaining a strictly read-only mode to avoid any potential changes to the application. All storage activities are still using the system-level shared storage. This project was an initial exploration into extending the container concept to also include storage and to use writeable containers, auto generated by the system, as a way to link the contained data back to the simulation and input deck used to create it.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

End-to-end Provenance Traceability and Reproducibility Through "Palletized'' Simulation Data

Trusting simulation output is crucial for Sandia's mission objectives. We rely on these simulations to perform our high-consequence mission tasks given our treaty obligations. Other science and modelling needs, while they may not be high-consequence, still require the strongest levels of trust to enable using the result as the foundation for both practical applications and future research. To this end, the computing community has developed work- flow and provenance systems to aid in both automating simulation and modelling execution, but to also aid in determining exactly how was some output created so that conclusions can be drawn from the data. Current approaches for workflows and provenance systems are all at the user level and have little to no system level support making them fragile, difficult to use, and incomplete solutions. The introduction of container technology is a first step towards encapsulating and tracking artifacts used in creating data and resulting insights, but their current implementation is focused solely on making it easy to deploy an application in an isolated "sandbox" and maintaining a strictly read-only mode to avoid any potential changes to the application. All storage activities are still using the system-level shared storage. This project was an initial exploration into extending the container concept to also include storage and to use writable containers, auto generated by the system, as a way to link the contained data back to the simulation and input deck used to create it.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Software Resilience using Kokkos Ecosystem

Due to the cost of hardware failures within mission critical and scientific applications, it is necessary for software to provide a mechanism to prevent or recover from interruptions. The Kokkos ecosystem is a programming environment that provides performance and portability to many applications that run on DOE supercomputers as well as smaller scale systems. These applications require a higher level of service due to the cost associated with each simulation or the critical nature of the mission. Software resilience enables an application of manage hardware failures reducing the cost of an interruption. Two different resilience methodologies have been added to the Kokkos ecosystem: checkpointing has been added for restart capabilities and a resilient execution model has been added to account for failures in compute devices. The design and implementation of each of these additions are described, and appropriate examples are included for end users.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

(U) Radiation Hydrodynamics in the Ristra Project’s Symphony code: Initial release

One of the recent focuses in the next-generation code (NGC/Ristra)project at LANL is to develop a cell-centered Lagrangian radiation-hydrodynamics code under FleCSI framework. The FleCSI frame-work provides a unified data and execution model in order to insulate production code development from the uncertainty of evolving runtimeand architectures. We have developed the code, Symphony, which in-corporates the hydrodynamics code, FleCSALE, and the radiation transport code, Puno.This memo is intended to describe the coupling of radiation and hydrodynamics within the Ristra Project’s code Symphony.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

User-Defined Types as Task Parameters and Arguments in FleCSI

FleCSI is a C++ framework for writing multi-physics simulations. FleCSI abstracts away complicated backends, enabling high performance while eliminating the need for users to directly manage memory and execution. This is done via FleCSI’s data and execution model.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

The Athena++ Adaptive Mesh Refinement Framework: Design and Magnetohydrodynamic Solvers

The design and implementation of a new framework for adaptive mesh refinement calculations are described. It is intended primarily for applications in astrophysical fluid dynamics, but its flexible and modular design enables its use for a wide variety of physics. The framework works with both uniform and nonuniform grids in Cartesian and curvilinear coordinate systems. It adopts a dynamic execution model based on a simple design called a "task list" that improves parallel performance by overlapping communication and computation, simplifies the inclusion of a diverse range of physics, and even enables multiphysics models involving different physics in different regions of the calculation. We describe physics modules implemented in this framework for both nonrelativistic and relativistic magnetohydrodynamics (MHD). These modules adopt mature and robust algorithms originally developed for the Athena MHD code and incorporate new extensions: support for curvilinear coordinates, higher-order time integrators, more realistic physics such as a general equation of state, and diffusion terms that can be integrated with super-time-stepping algorithms. The modules show excellent performance and scaling, with well over 80% parallel efficiency on over half a million threads. The source code has been made publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1991

Report on the formal specification and partial verification of the VIPER microprocessor

The formal specification and partial verification of the VIPER microprocessor is reviewed. The VIPER microprocessor was designed by RSRE, Malvern, England, for safety critical computing applications (e.g., aircraft, reactor control, medical instruments, armaments). The VIPER was carefully specified and partially verified in an attempt to provide a microprocessor with completely predictable operating characteristics. The specification of VIPER is divided into several levels of abstraction, from a gate-level description up to an instruction execution model. Although the consistency between certain levels was demonstrated with mechanically-assisted mathematical proof, the formal verification of VIPER was never completed.

Brock, Bishop↗

NASA NTRS1991

Maintaining consistency in distributed systems

In systems designed as assemblies of independently developed components, concurrent access to data or data structures normally arises within individual programs, and is controlled using mutual exclusion constructs, such as semaphores and monitors. Where data is persistent and/or sets of operation are related to one another, transactions or linearizability may be more appropriate. Systems that incorporate cooperative styles of distributed execution often replicate or distribute data within groups of components. In these cases, group oriented consistency properties must be maintained, and tools based on the virtual synchrony execution model greatly simplify the task confronting an application developer. All three styles of distributed computing are likely to be seen in future systems - often, within the same application. This leads us to propose an integrated approach that permits applications that use virtual synchrony with concurrent objects that respect a linearizability constraint, and vice versa. Transactional subsystems are treated as a special case of linearizability.

Birman, Kenneth P.↗

NASA NTRS1994

The navigation toolkit

This report summarizes the experience of the authors in managing, designing, and implementing an object-oriented applications framework for orbital navigation analysis for the Flight Design and Dynamics Department of the Rockwell Space Operations Company in Houston, in support of the Mission Operations Directorate of NASA's Johnson Space Center. The 8 person year project spanned 1.5 years and produced 30,000 lines of C++ code, replacing 150,000 lines of Fortran/C. We believe that our experience is important because it represents a 'second project' experience and generated real production-quality code - it was not a pilot. The project successfully demonstrated the use of 'continuous development' or rapid prototyping techniques. Use of formal methods and executable models contributed to the quality of the code. Keys to the success of the project were a strong architectural vision and highly skilled workers. This report focuses on process and methodology, and not on a detailed design description of the product. But the true importance of the object-oriented paradigm is its liberation of the developer to focus on the problem rather than the means used to solve the problem.

Rich, William F.↗

NASA NTRS1994

Learning to train neural networks for real-world control problems

Over the past three years, our group has concentrated on the application of neural network methods to the training of controllers for real-world systems. This presentation describes our approach, surveys what we have found to be important, mentions some contributions to the field, and shows some representative results. Topics discussed include: (1) executing model studies as rehearsal for experimental studies; (2) the importance of correct derivatives; (3) effective training with second-order (DEKF) methods; (4) the efficacy of time-lagged recurrent networks; (5) liberation from the tyranny of the control cycle using asynchronous truncated backpropagation through time; and (6) multistream training for robustness. Results from model studies of automotive idle speed control serve as examples for several of these topics.

Feldkamp, Lee A.↗

NASA NTRS1995

An executable specification for the message processor in a simple combining network

While the primary function of the network in a parallel computer is to communicate data between processors, it is often useful if the network can also perform rudimentary calculations. That is, some simple processing ability in the network itself, particularly for performing parallel prefix computations, can reduce both the volume of data being communicated and the computational load on the processors proper. Unfortunately, typical implementations of such networks require a large fraction of the hardware budget, and so combining networks are viewed as being impractical. The FFP Machine has such a combining network, and various characteristics of the machine allow a good deal of simplification in the network design. Despite being simple in construction however, the network relies on many subtle details to work correctly. This paper describes an executable model of the network which will serve several purposes. It provides a complete and detailed description of the network which can substantiate its ability to support necessary functions. It provides an environment in which algorithms to be run on the network can be designed and debugged more easily than they would on physical hardware. Finally, it provides the foundation for exploring the design of the message receiving facility which connects the network to the individual processors.

Middleton, David↗