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At least 289 records · Page 16

All sources NASA NTRS DOE OSTI

NASA NTRS2016

Parallel Adjective High-Order CFD Simulations Characterizing SOFIA Cavity Acoustics

This paper presents large-scale MPI-parallel computational uid dynamics simulations for the Stratospheric Observatory for Infrared Astronomy (SOFIA). SOFIA is an airborne, 2.5-meter infrared telescope mounted in an open cavity in the aft fuselage of a Boeing 747SP. These simulations focus on how the unsteady ow eld inside and over the cavity interferes with the optical path and mounting structure of the telescope. A temporally fourth-order accurate Runge-Kutta, and spatially fth-order accurate WENO- 5Z scheme was used to perform implicit large eddy simulations. An immersed boundary method provides automated gridding for complex geometries and natural coupling to a block-structured Cartesian adaptive mesh re nement framework. Strong scaling studies using NASA's Pleiades supercomputer with up to 32k CPU cores and 4 billion compu- tational cells shows excellent scaling. Dynamic load balancing based on execution time on individual AMR blocks addresses irregular numerical cost associated with blocks con- taining boundaries. Limits to scaling beyond 32k cores are identi ed, and targeted code optimizations are discussed.

CFD↗

DOE OSTI2026

A time-parallel method for scalable heat transfer simulations of additive manufacturing

Here, a major challenge in simulating the thermal behavior in additive manufacturing processes is the disparate length and time scales between transport phenomena occurring in the melt pool and the component. A common simulation approach relies on spatial decomposition for parallel computing, but due to the nature of heat transfer in AM, where most of the computational expenditure is localized near the melt pool, the computational speedup from spatial parallelization saturates quickly. Therefore, additional parallelism by means of time-domain decomposition is needed to fully take advantage of high-performance computing (HPC) resources. This work introduces a time-parallel method to improve the computational scalability of additive manufacturing simulations on HPC systems, while maintaining high temporal resolution of heat transfer near the melt pool. The method, inspired by the nonlinear paraexp formalism, performs an iterative superposition of nonlinear solutions to the initial value problem, integrating the heat equation across overlapping time-parallel intervals. For a single layer of the NIST AMB2018–01 L7 benchmark problem, the method achieves a 38.51x speedup in wall-clock time with a maximum error in the global temperature solution of 0.99%. This reduces the total solution time from 196.72 min to 5.11 min on 128 nodes of the ORNL Frontier supercomputer. The tradeoff between accuracy and total wall-clock time is investigated and recommendations for time-parallel deployment for AM problems are made.

Additive manufacturing↗

NASA NTRS1989

Parallel processing of real-time dynamic systems simulation on OSCAR (Optimally SCheduled Advanced multiprocessoR)

Parallel processing of real-time dynamic systems simulation on a multiprocessor system named OSCAR is presented. In the simulation of dynamic systems, generally, the same calculation are repeated every time step. However, we cannot apply to Do-all or the Do-across techniques for parallel processing of the simulation since there exist data dependencies from the end of an iteration to the beginning of the next iteration and furthermore data-input and data-output are required every sampling time period. Therefore, parallelism inside the calculation required for a single time step, or a large basic block which consists of arithmetic assignment statements, must be used. In the proposed method, near fine grain tasks, each of which consists of one or more floating point operations, are generated to extract the parallelism from the calculation and assigned to processors by using optimal static scheduling at compile time in order to reduce large run time overhead caused by the use of near fine grain tasks. The practicality of the scheme is demonstrated on OSCAR (Optimally SCheduled Advanced multiprocessoR) which has been developed to extract advantageous features of static scheduling algorithms to the maximum extent.

Kasahara, Hironori↗

DOE OSTI2026

Impact of Forest Canopy Structure on Buoyant Plume Dynamics During Wildland Fires

Heterogeneous forest canopies can generate complex turbulent structures, but in the presence of a fire plume, these interactions are not fully understood. This study investigates the influence of forest canopy heterogeneity on buoyant plume dynamics resulting from surface thermal anomalies representing wildland fires, utilizing Large Eddy Simulation (LES). The Parallelized Large-Eddy Simulation Model (PALM) was employed to simulate six canopy configurations: no canopy, homogeneous canopy, external plume-edge canopy, internal plume-edge canopy, 100 m gap canopy, and 200 m gap canopy. Each configuration was analyzed with and without a static surface heat flux patch of 5000 W ∙ m -2 , resulting in a resting buoyant plume. Simulations were conducted under three crosswind speeds: 0, 5, and 10 m ∙ s -1 . Results show that canopy structure significantly modifies plume behavior, mean flow, and turbulent kinetic energy (TKE) budgets. Plume updraft speed and tilt varied with canopy configuration and crosswind speed. Horizontal pressure gradients associated with plume-atmosphere interaction were modified based on the canopy configuration, resulting in varying crosswind speed reductions at the plume region. Strong momentum absorption was observed above the canopy for the crosswind cases, with the greatest enhancement in the gap canopies. Momentum injection from below the canopy due to the heat source was also observed, resulting in plume structure modulation based on canopy configuration. TKE was found to be the largest in the gap canopy configurations. TKE budget analysis revealed that buoyant production dominated over shear production. At the center of the heat patch, the gap canopy configurations showed enhanced buoyancy within the gap. These results improve our knowledge of fire-canopy-atmosphere interactions that can inform fire models on the impacts of canopy heterogeneity on plume dynamics and ember ejections.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Learning local equivariant representations for large-scale atomistic dynamics

Abstract A simultaneously accurate and computationally efficient parametrization of the potential energy surface of molecules and materials is a long-standing goal in the natural sciences. While atom-centered message passing neural networks (MPNNs) have shown remarkable accuracy, their information propagation has limited the accessible length-scales. Local methods, conversely, scale to large simulations but have suffered from inferior accuracy. This work introduces Allegro, a strictly local equivariant deep neural network interatomic potential architecture that simultaneously exhibits excellent accuracy and scalability. Allegro represents a many-body potential using iterated tensor products of learned equivariant representations without atom-centered message passing. Allegro obtains improvements over state-of-the-art methods on QM9 and revMD17. A single tensor product layer outperforms existing deep MPNNs and transformers on QM9. Furthermore, Allegro displays remarkable generalization to out-of-distribution data. Molecular simulations using Allegro recover structural and kinetic properties of an amorphous electrolyte in excellent agreement with ab-initio simulations. Finally, we demonstrate parallelization with a simulation of 100 million atoms.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS1992

Parallel computational fluid dynamics '91; Conference Proceedings, Stuttgart, Germany, Jun. 10-12, 1991

A conference was held on parallel computational fluid dynamics and produced related papers. Topics discussed in these papers include: parallel implicit and explicit solvers for compressible flow, parallel computational techniques for Euler and Navier-Stokes equations, grid generation techniques for parallel computers, and aerodynamic simulation om massively parallel systems.

Reinsch, K. G.↗

NASA NTRS2002

A Three-Dimensional Parallel Time-Accurate Turbopump Simulation Procedure Using Overset Grid System

The objective of the current effort is to provide a computational framework for design and analysis of the entire fuel supply system of a liquid rocket engine, including high-fidelity unsteady turbopump flow analysis. This capability is needed to support the design of pump sub-systems for advanced space transportation vehicles that are likely to involve liquid propulsion systems. To date, computational tools for design/analysis of turbopump flows are based on relatively lower fidelity methods. An unsteady, three-dimensional viscous flow analysis tool involving stationary and rotational components for the entire turbopump assembly has not been available for real-world engineering applications. The present effort provides developers with information such as transient flow phenomena at start up, and nonuniform inflows, and will eventually impact on system vibration and structures. In the proposed paper, the progress toward the capability of complete simulation of the turbo-pump for a liquid rocket engine is reported. The Space Shuttle Main Engine (SSME) turbo-pump is used as a test case for evaluation of the hybrid MPI/Open-MP and MLP versions of the INS3D code. CAD to solution auto-scripting capability is being developed for turbopump applications. The relative motion of the grid systems for the rotor-stator interaction was obtained using overset grid techniques. Unsteady computations for the SSME turbo-pump, which contains 114 zones with 34.5 million grid points, are carried out on Origin 3000 systems at NASA Ames Research Center. Results from these time-accurate simulations with moving boundary capability are presented along with the performance of parallel versions of the code.

Kiris, Cetin↗

DOE OSTI2022

Enabling Parallel Execution of System-level Simulations in SAM

This report summarizes the recent code updates related to “element ghosting” in SAM to enable the parallel execution of system-level simulations using multiple processors/cores. Unlike typical MOOSE-based applications, for system-level simulations, SAM mostly deals with a collection of discrete small pieces of meshes, and the connection of physics on these meshes are realized by using “connector” types of components/code structures, such as conjugate heat transfer and flow junctions. The required code implementation is to correctly mark the necessary ghost elements for each type of such components/code structures; thus, the lower-level libraries can correctly perform the necessary data transfer between processors (CPUs) when executed in parallel mode. After the code updates, SAM can now run system-level simulations in the parallel mode. The parallel execution capability was then tested with an ABTR input model with 23k DOFs. Significant speedup was demonstrated when the optimal number of CPUs were used in parallel mode. Future systematic studies on parallelization performance using additional test cases covering different physics/scenarios will be needed to provide additional insights into the scalability of SAM parallelization.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2018

An Investigation of Parallel Programming Techniques Applied to Monte Carlo Simulations for Post-Flight Reconstruction of Spacecraft Trajectory

Parallelizing software to execute on multi-core central processing units (CPUs) and graphics processing units (GPUs) can be challenging. For some fields outside of Computer Science, this transition comes with new issues. For example, memory limitations can require modifications to code not initially developed to run on GPUs. This work applies the Open Multi-Processing (OpenMP) and Open Accelerators (OpenACC) directive-based parallelization strategies on a Monte Carlo simulation approach for trajectory reconstruction enabling it to run on multi-core CPUs and GPUs. Large matrix operations are the most common use of GPUs, which are not present in this algorithm; however, the natural parallelism of independent trajectories in Monte Carlo simulations is exploited. Benchmarking data are presented comparing execution times of the software for single-thread CPUs, multi-thread CPUs with OpenMP, and multi-thread GPUs using OpenACC. These data were collected using nodes with Intel® Xeon® E5-2670 (Sandy Bridge) CPUs enhanced with NVIDIA® Tesla® K40 GPUs on the Pleiades Supercomputer cluster at the National Aeronautics and Space Administration (NASA) Ames Research Center (ARC) and a local Intel® Xeon Phi™ node at NASA Langley Research Center (LaRC).

Williams, R. Anthony↗

DOE OSTI2025

Ensemble Simulation Techniques and Fast Randomized Algorithms

The major goals of the project were to develop and analyze new ensemble simulation techniques, including trajectory stratification and preconditioned MCMC techniques, as well as develop fast numerical linear algebra techniques closely related to ensemble simulation ideas. The trajectory stratification techniques involve simulating in parallel short trajectory fragments of a Markov process confined to a specific region of space‐time and then patching together the statistics gathered to assemble estimates of very general dynamical properties. We have also developed this approach for rare event simulation and extended the techniques to applications requiring a more general framework (such as electronic structure calculations). The preconditioned MCMC techniques involve simulating multiple Markov chains in parallel and then using information from the ensemble to speed the mixing of each individual chain. The fast randomized linear algebra methods are motivated by the diffusion Monte Carlo technique, but are applicable to finding the dominant eigenvalue of (almost) general matrices. For most non‐negative matrices, the schemes result in an error (compared to the power method) that is constant in the dimension of the problem. For more general matrices, we see a very clear sublinear cost trend in computational tests.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1991

Steepening of parallel propagating hydromagnetic waves into magnetic pulsations - A simulation study

The steepening mechanism of parallel propagating low-frequency MHD-like waves observed upstream of the earth's quasi-parallel bow shock has been investigated by means of electromagnetic hybrid simulations. It is shown that an ion beam through the resonant electromagnetic ion/ion instability excites large-amplitude waves, which consequently pitch angle scatter, decelerate, and eventually magnetically trap beam ions in regions where the wave amplitudes are largest. As a result, the beam ions become bunched in both space and gyrophase. As these higher-density, nongyrotropic beam segments are formed, the hydromagnetic waves rapidly steepen, resulting in magnetic pulsations, with properties generally in agreement with observations. This steepening process operates on the scale of the linear growth time of the resonant ion/ion instability. Many of the pulsations generated by this mechanism are left-hand polarized in the spacecraft frame.

Akimoto, K.↗

NASA NTRS1993

Parallel runway requirement analysis study. Volume 2: Simulation manual

This document is a user manual for operating the PLAND_BLUNDER (PLB) simulation program. This simulation is based on two aircraft approaching parallel runways independently and using parallel Instrument Landing System (ILS) equipment during Instrument Meteorological Conditions (IMC). If an aircraft should deviate from its assigned localizer course toward the opposite runway, this constitutes a blunder which could endanger the aircraft on the adjacent path. The worst case scenario would be if the blundering aircraft were unable to recover and continue toward the adjacent runway. PLAND_BLUNDER is a Monte Carlo-type simulation which employs the events and aircraft positioning during such a blunder situation. The model simulates two aircraft performing parallel ILS approaches using Instrument Flight Rules (IFR) or visual procedures. PLB uses a simple movement model and control law in three dimensions (X, Y, Z). The parameters of the simulation inputs and outputs are defined in this document along with a sample of the statistical analysis. This document is the second volume of a two volume set. Volume 1 is a description of the application of the PLB to the analysis of close parallel runway operations.

Ebrahimi, Yaghoob S.↗

NASA NTRS2019

Magnetic Reconnection in a Quasi‐Parallel Shock: Two‐Dimensional Local Particle‐in‐Cell Simulation

Magnetic reconnection in a quasi‐parallel bow shock is investigated with two‐dimensional local particle‐in‐cell simulations. In the shock transition and downstream regions, large amplitude magnetic fluctuations exist, and abundant current sheets form. In some current sheets, reconnection occurs, and ion‐scale and electron‐scale magnetic islands are generated. In electron‐scale island regions, only electron outflow jets are observed, producing a quadrupolar out‐of‐plane magnetic field pattern, while in ion‐scale islands, both ions and electrons are involved and energized in reconnection. Normalized reconnection rates are obtained to be between around 0.1 to 0.2, and particle acceleration signatures are seen in distribution functions.

Bessho, N.↗

NASA NTRS1995

Runtime volume visualization for parallel CFD

This paper discusses some aspects of design of a data distributed, massively parallel volume rendering library for runtime visualization of parallel computational fluid dynamics simulations in a message-passing environment. Unlike the traditional scheme in which visualization is a postprocessing step, the rendering is done in place on each node processor. Computational scientists who run large-scale simulations on a massively parallel computer can thus perform interactive monitoring of their simulations. The current library provides an interface to handle volume data on rectilinear grids. The same design principles can be generalized to handle other types of grids. For demonstration, we run a parallel Navier-Stokes solver making use of this rendering library on the Intel Paragon XP/S. The interactive visual response achieved is found to be very useful. Performance studies show that the parallel rendering process is scalable with the size of the simulation as well as with the parallel computer.

Ma, Kwan-Liu↗

DOE OSTI2023

Extreme-scale stochastic optimization and simulation via learning-enhanced decomposition and parallelization (Final Technical Report)

Stochastic optimization and simulation models ubiquitously arise in designing and operating complex service/engineering systems. They can be extreme in scale due to high-dimensional data and decisions, and can also involve decisions made sequentially in response to newly revealed data, both causing significant computational challenge. The objective of this research is to explore a unified framework that integrates machine learning with discrete optimization and risk-averse modeling, to improve the efficiency of decomposition paradigms for stochastic optimization and simulations at extreme scale. The models we consider represent a broad class of complex decision-making problems, where 0-1 or continuous decisions are made before and/or after knowing multiple sources of uncertainties that could be correlated. We will employ machine learning methods to dynamically decide and prioritize computational procedures, including cut generation, branching, and bounding of the optimal objective. Furthermore, the research will shed new lights on the traditional decomposition algorithms for extreme-scale computing. Deliverables of the research include new modeling and computational methods for advancing the state-of-the-art research in optimization and simulation, bringing many relevant risk-averse, data-driven optimization problems in practice within the range of tractability. Examples include distributed computing server scheduling and sensor deployment for monitoring critical infrastructures. Success in this effort will enable progress in solving multiple extreme-scale problems in the complex system design and operations arising from DoE missions in energy, environment, and national security.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1992

Parallel implementation of a particle simulation for modeling rarefied gas dynamic flow

When the conditions of flow are rarefied and hypersonic, a more suitable alternative to the use of the Navier-Stokes equations for developing a numerical solution is the Direct Simulation Monte Carlo method (DSMC), a method of simulation which employs a large number of particles in modeling a rarefied gas. The performance of a parallel DSMC code developed for the Intel iPSC/860 Touchstone Gamma prototype computer is studied and the scaleup is found to be very nearly over the range of 16-128 processors.

Fallavollita, M. A.↗

NASA NTRS1987

Time-partitioning simulation models for calculation on parallel computers

A technique allowing time-staggered solution of partial differential equations is presented in this report. Using this technique, called time-partitioning, simulation execution speedup is proportional to the number of processors used because all processors operate simultaneously, with each updating of the solution grid at a different time point. The technique is limited by neither the number of processors available nor by the dimension of the solution grid. Time-partitioning was used to obtain the flow pattern through a cascade of airfoils, modeled by the Euler partial differential equations. An execution speedup factor of 1.77 was achieved using a two processor Cray X-MP/24 computer.

Milner, Edward J.↗

NASA NTRS1987

Time-partitioning simulation models for calculation of parallel computers

Milner, Edward J.↗