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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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At least 487 records · Page 27

Picasso: Memory-Efficient Graph Coloring Using Palettes With Applications in Quantum Computing

A coloring of a graph is an assignment of colors to vertices such that no two neighboring vertices have the same color. The need for memory-efficient coloring algorithms is motivated by their application in computing clique partitions of graphs arising in quantum computations where the objective is to map a large set of Pauli strings into a compact set of unitaries. We present Picasso, a randomized memory-efficient iterative parallel graph coloring algorithm with theoretical sublinear space guarantees under practical assumptions. The parameters of our algorithm provide a trade-off between coloring quality and resource consumption. To assist the user, we also propose a machine learning model to predict the coloring algorithm’s parameters considering these trade-offs. We provide a sequential and a parallel implementation of the proposed algorithm. We perform an experimental evaluation on a 64-core AMD CPU equipped with 512 GB of memory and an Nvidia A100 GPU with 40GB of memory. For a small dataset where existing coloring algorithms can be executed within the 512 GB memory budget, we show up to 68× memory savings. On massive datasets we demonstrate that GPU-accelerated Picasso can process inputs with 49.5× more Pauli strings (vertex set in our graph) and 2,478× more edges than state-of-the-art parallel approaches.

artificial intelligence, quantum computing↗

Deep Reinforcement Learning Based Control of Wind Turbines for Fast Frequency Response

In order to fulfill vital auxiliary grid services, such as load regulation, spin and non-spin reserve provision, and frequency support during emergencies, there is often a requirement for certain wind farms to operate in de-loaded modes. Leveraging the swift response capabilities of wind farms, this study demonstrates that reserving power in de-loaded modes can significantly enhance power grid stability and reliability during system contingencies. Controlling wind farms optimally for frequency support is intricate due to the nonlinearity of models and controllers and the complexity of wind farm interactions with power systems. Here, to address this challenge, this paper introduces a novel approach that integrates wind turbines into reinforcement learning-based solutions for frequency response. This innovative methodology utilizes the state-of-the-art reinforcement learning algorithm known as the surrogate-gradient-based evolutionary strategy. The proposed learning-based algorithm provides continuous control of wind farm output to rapidly stabilize system frequency and prevent unnecessary trips of under-frequency load shedding relays. To facilitate efficient training, parallel computing techniques are employed. The proposed methodology is evaluated on a modified IEEE-39 bus system, and simulation results reveal its efficacy in reliably supporting power system frequency and preventing the need for unnecessary load shedding.

Gao, Wei [Argonne National Laboratory (ANL), Argon↗

A Framework for Load Balancing of Tensor Contraction Expressions via Dynamic Task Partitioning

In this paper, we introduce the Dynamic Load-balanced Tensor Contractions (DLTC), a domain-specific library for efficient task parallel execution of tensor contraction expressions, a class of computation encountered in quantum chemistry and physics. Our framework decomposes each contraction into smaller unit of tasks, represented by an abstraction referred to as iterators. We exploit an extra level of parallelism by having tasks across independent contractions executed concurrently through a dynamic load balancing run- time. We demonstrate the improved performance, scalability, and flexibility for the computation of tensor contraction expressions on parallel computers using examples from coupled cluster methods.

Tensor contraction, domain-specific language, dyna↗

Axolotl: a scalable genomics library based on Apache Spark (Axolotl) v1.0.0

Axolotl is a Python library for scalable distributed genome and metagenome data analysis. Existing tools and systems that we rely on are struggling to keep up with the rapid explosion of genomic data. Compounding this issue, developing scalable solutions require a steep learning curve in parallel programming, which presents a barrier to academic researchers. While we do have scalable solutions for specific tasks, we lack comprehensive, end-to-end solutions. It's this gap in our toolkit that we aim to address with Axolotl. The Axolotl library is built for easy parallel processing, efficiently handling multiple tasks or large datasets simultaneously, and scaling up to meet the demands of extensive genomic data analysis.

Wang, Zhong↗

TReactMech v4.217

TReactMech couples geomechanical processes (poroelasticity, failure, and inelastic strain) with multiphase nonisothermal flow (derived from TOUGH2) and reactive geochemical transport. At its core is the reactive-transport code TOUGHREACT v4.13. TReactMech is an efficient hybrid parallel simulator, solving the geomechanics using finite elements and MPI/PetSc, the multiphase flow using integrated finite difference and MPI/PETSc, and the reactive chemistry using OpenMP. The advantages of TReactMech are in its multiphase flow capabilities (e.g., supercritical CO2, supercritical water, air) and parallel geomechanics including full 3-D stress tensor, shear and tensile failure, coupled to porosity and permeability changes. It is backwardly compatible with TOUGH2 and TOUGHREACT v4.13, allowing for easier transitions between the codes. TReactMech can be used to simulate many natural and engineered subsurface systems, including geothermal reservoirs, borehole heat exchangers, geologic carbon sequestration, geologic storage of nuclear waste, groundwater resources, weathering, sediment diagenesis, seafloor hydrothermal circulation, hydrofracturing in unconventional reservoirs, and injection/production-induced surface deformation.

Sonnenthal, Eric↗

2014 Runtime Systems Summit. Runtime Systems Report

This report summarizes runtime system challenges for exascale computing, that follow from the fundamental challenges for exascale systems that have been well studied in past reports, e.g., [6, 33, 34, 32, 24]. Some of the key exascale challenges that pertain to runtime systems include parallelism, energy efficiency, memory hierarchies, data movement, heterogeneous processors and memories, resilience, performance variability, dynamic resource allocation, performance portability, and interoperability with legacy code. In addition to summarizing these challenges, the report also outlines different approaches to addressing these significant challenges that have been pursued by research projects in the DOE-sponsored X-Stack and OS/R programs. Since there is often confusion as to what exactly the term “runtime system” refers to in the software stack, we include a section on taxonomy to clarify the terminology used by participants in these research projects. In addition, we include a section on deployment opportunities for vendors and government labs to build on the research results from these projects. Finally, this report is also intended to provide a framework for discussing future research and development investments for exascale runtime systems, and for clarifying the role of runtime systems in exascale software.

97 MATHEMATICS AND COMPUTING↗

Three-Dimensional Grid Visualization for Planning Activities: A Dubai Case Study

National Laboratory of the Rockies (NLR), in collaboration with the Dubai Electricity and Water Authority (DEWA) and Infra-X, has undertaken the Energy Visualization Analysis Project. The aim of this project is to enhance analytical and 3D visualization capabilities for distribution network planning and renewable energy integration. As modern grid continues to evolve with large-scale solar PV deployment and emerging distributed energy resources (DERs), the ability to effectively analyze, visualize, and communicate complex grid behaviors has become increasingly critical. The project focuses on developing empirical use cases based on real distribution feeder data and engineering workflows, ensuring the outcomes are directly aligned with operational environment. Through time-series power flow simulations and nodal hosting capacity analysis, the study quantifies the impacts of high PV penetration on voltage and thermal limits within representative 11 kV feeders. These analyses identify specific nodes and conditions where DER integration challenges arise. Furthermore, a Battery Energy Storage System (BESS) optimization algorithm was applied to determine the optimal size and placement of storage systems that can mitigate network constraints and enhance hosting capacity. The comparative results between base-case and BESS-augmented scenarios clearly demonstrate improvements in network stability and load management efficiency. In parallel, the NLR team developed an immersive 3D visualization framework, enabling interactive exploration of grid simulations using commodity head-mounted display (HMD) systems. This framework transforms conventional 2D simulation data into spatially intuitive visual environments - allowing engineers to analyze feeder conditions, PV hosting potential, and BESS effects in real time. This report represents the first foundational phase in establishing a visualization-driven analytical ecosystem. It provides a methodological foundation for data integration, visualization architecture, and simulation-based decision support, paving the way for large-scale adoption of immersive visualization across DEWA's Smart Grid Initiative, R&D activities, and future network resilience studies.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A Lanczos eigenvalue method on a parallel computer

Eigenvalue analyses of complex structures is a computationally intensive task which can benefit significantly from new and impending parallel computers. This study reports on a parallel computer implementation of the Lanczos method for free vibration analysis. The approach used here subdivides the major Lanczos calculation tasks into subtasks and introduces parallelism down to the subtask levels such as matrix decomposition and forward/backward substitution. The method was implemented on a commercial parallel computer and results were obtained for a long flexible space structure. While parallel computing efficiency for the Lanczos method was good for a moderate number of processors for the test problem, the greatest reduction in time was realized for the decomposition of the stiffness matrix, a calculation which took 70 percent of the time in the sequential program and which took 25 percent of the time on eight processors. For a sample calculation of the twenty lowest frequencies of a 486 degree of freedom problem, the total sequential computing time was reduced by almost a factor of ten using 16 processors.

Bostic, Susan W.↗

A fast MPP algorithm for Ising spin exchange simulations

A very efficient massively parallel processor (MPP) algorithm is described for performing one important class of Ising spin simulations. Results and physical significance of MPP calculations using the method described is discussed elsewhere. A few comments, however, are made on the problem under study and results so far are reported. Ted Einstein provided guidance in interpreting the initial results and in suggesting calculations to perform.

Sullivan, Francis↗

A Lanczos eigenvalue method on a parallel computer

Eigenvalue analyses of complex structures is a computationally intensive task which can benefit significantly from new and impending parallel computers. This study reports on a parallel computer implementation of the Lanczos method for free vibration analysis. The approach used here subdivides the major Lanczos calculation tasks into subtasks and introduces parallelism down to the subtask levels such as matrix decomposition and forward/backward substitution. The method was implemented on a commercial parallel computer and results were obtained for a long flexible space structure. While parallel computing efficiency is problem and computer dependent, the efficiency for the Lanczos method was good for a moderate number of processors for the test problem. The greatest reduction in time was realized for the decomposition of the stiffness matrix, a calculation which took 70 percent of the time in the sequential program and which took 25 percent of the time on eight processors. For a sample calculation of the twenty lowest frequencies of a 486 degree of freedom problem, the total sequential computing time was reduced by almost a factor of ten using 16 processors.

Bostic, Susan W.↗

On the role of the quasi-parallel bow shock in ion pickup - A lesson from Venus?

Previous observations at Venus show convincing evidence of planetary O(+) ion pickup by the largescale motional -V x B electric field in the magnetosheath when the interplanetary magnetic field is perpendicular to the solar wind flow. However, the presence of magnetic field fluctuations in the magnetosheath downstream from the quasi-parallel bow shock should allow pickup to occur even when the upstream magnetic field B and plasma velocity V are practically coaligned. Single-particle calculations are used to demonstrate the convecting magnetic field fluctuations similar to those observed in the Venus magnetosheath when the subsolar bow shock is quasi-parallel can efficiently accelerate cold planetary ions by means of the electric field associated with their transverse components. This ion pickup process, which is characterized by a spatial dependence determined by the bow shock shape and the orientation of the upstream magnetic field, is likely also to occur at Mars and may be effective at comets.

Luhmann, J. G.↗

The power and efficiency of advanced software and parallel processing

Real-time simulation of flexible and articulating systems is difficult because of the computational burden of the time varying calculations. The mobile servicing system of the NASA Space Station Freedom will handle heavy payloads by local arm manipulations and by translating along the spline of the Station, it is crucial to have real-time simulation available. To enable such a simulation to be of high fidelity and to be able to be hosted on a modest computer, special care must be made in formulating the structural dynamics. Frontal solution algorithms save considerable time in performing these calculations. In addition, it is necessary to take advantage of parallel processing be compatible to take full advantage of both. An approach is offered which will result in high fidelity, real-time simulation for flexible, articulating systems such as the space Station remote servicing system.

Singh, Ramen P.↗

Three-dimensional direct particle simulation on the Connection Machine

This paper presents the algorithms necessary for an efficient data parallel implementation of a 3D particle simulation. In particular, a general master/slave algorithm and a fast sorting algorithm are described and the use of these algorithms in a particle simulation is outlined. A particle simulation using these algorithms has been implemented on a 32768 processor Connection Machine that is capable of simulating over 30 million particles at an average rate of 2.4-microsec/particle/step. Results are presented from the simulation of flow over an Aeroassisted Flight Experiment geometry at 100 km altitude.

Dagum, Leonardo↗

Fully Threaded Tree for Adaptive Refinement Fluid Dynamics Simulations

A fully threaded tree (FTT) for adaptive refinement of regular meshes is described. By using a tree threaded at all levels, tree traversals for finding nearest neighbors are avoided. All operations on a tree including tree modifications are O(N), where N is a number of cells, and are performed in parallel. An efficient implementation of the tree is described that requires 2N words of memory. A filtering algorithm for removing high frequency noise during mesh refinement is described. A FTT can be used in various numerical applications. In this paper, it is applied to the integration of the Euler equations of fluid dynamics. An adaptive mesh time stepping algorithm is described in which different time steps are used at different l evels of the tree. Time stepping and mesh refinement are interleaved to avoid extensive buffer layers of fine mesh which were otherwise required ahead of moving shocks. Test examples are presented, and the FTT performance is evaluated. The three dimensional simulation of the interaction of a shock wave and a spherical bubble is carried out that shows the development of azimuthal perturbations on the bubble surface.

FINITE ELEMENT ANALYSIS↗

An Efficient Objective Analysis System for Parallel Computers

A new atmospheric objective analysis system designed for parallel computers will be described. The system can produce a global analysis (on a 1 X 1 lat-lon grid with 18 levels of heights and winds and 10 levels of moisture) using 120,000 observations in 17 minutes on 32 CPUs (SGI Origin 2000). No special parallel code is needed (e.g. MPI or multitasking) and the 32 CPUs do not have to be on the same platform. The system is totally portable and can run on several different architectures at once. In addition, the system can easily scale up to 100 or more CPUS. This will allow for much higher resolution and significant increases in input data. The system scales linearly as the number of observations and the number of grid points. The cost overhead in going from 1 to 32 CPUs is 18%. In addition, the analysis results are identical regardless of the number of processors used. This system has all the characteristics of optimal interpolation, combining detailed instrument and first guess error statistics to produce the best estimate of the atmospheric state. Static tests with a 2 X 2.5 resolution version of this system showed it's analysis increments are comparable to the latest NASA operational system including maintenance of mass-wind balance. Results from several months of cycling test in the Goddard EOS Data Assimilation System (GEOS DAS) show this new analysis retains the same level of agreement between the first guess and observations (O-F statistics) as the current operational system.

Stobie, J.↗

An Efficient Objective Analysis System for Parallel Computers

A new objective analysis system designed for parallel computers will be described. The system can produce a global analysis (on a 2 x 2.5 lat-lon grid with 20 levels of heights and winds and 10 levels of moisture) using 120,000 observations in less than 3 minutes on 32 CPUs (SGI Origin 2000). No special parallel code is needed (e.g. MPI or multitasking) and the 32 CPUs do not have to be on the same platform. The system Ls totally portable and can run on -several different architectures at once. In addition, the system can easily scale up to 100 or more CPUS. This will allow for much higher resolution and significant increases in input data. The system scales linearly as the number of observations and the number of grid points. The cost overhead in going from I to 32 CPus is 18%. in addition, the analysis results are identical regardless of the number of processors used. T'his system has all the characteristics of optimal interpolation, combining detailed instrument and first guess error statistics to produce the best estimate of the atmospheric state. It also includes a new quality control (buddy check) system. Static tests with the system showed it's analysis increments are comparable to the latest NASA operational system including maintenance of mass-wind balance. Results from a 2-month cycling test in the Goddard EOS Data Assimilation System (GEOS DAS) show this new analysis retains the same level of agreement between the first guess and observations (0-F statistics) throughout the entire two months.

Stobie, James G.↗

Flow of a Gas Turbine Engine Low-Pressure Subsystem Simulated

The NASA Lewis Research Center is managing a task to numerically simulate overnight, on a parallel computing testbed, the aerodynamic flow in the complete low-pressure subsystem (LPS) of a gas turbine engine. The model solves the three-dimensional Navier- Stokes flow equations through all the components within the LPS, as well as the external flow around the engine nacelle. The LPS modeling task is being performed by Allison Engine Company under the Small Engine Technology contract. The large computer simulation was evaluated on networked computer systems using 8, 16, and 32 processors, with the parallel computing efficiency reaching 75 percent when 16 processors were used.

Veres, Joseph P.↗