Search NASA⌕ Search

SEARCH · Search NASA

Results for “Time parallelization”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Solar Wind Electron Interaction with the Dayside Lunar Surface and Crustal Magnetic Fields: Evidence for Precursor Effects

Electron distributions measured by Lunar Prospector above the dayside lunar surface in the solar wind often have an energy dependent loss cone, inconsistent with adiabatic magnetic reflection. Energy dependent reflection suggests the presence of downward parallel electric fields below the spacecraft, possibly indicating the presence of a standing electrostatic structure. Many electron distributions contain apparent low energy (<100 eV) upwardgoing conics (58% of the time) and beams (12% of the time), primarily in regions with non-zero crustal magnetic fields, implying the presence of parallel electric fields and/or wave-particle interactions below the spacecraft. Some, but not all, of the observed energy dependence comes from the energy gained during reflection from a moving obstacle; correctly characterizing electron reflection requires the use of the proper reference frame. Nonadiabatic reflection may also play a role, but cannot fully explain observations. In cases with upward-going beams, we observe partial isotropization of incoming solar wind electrons, possibly indicating streaming and/or whistler instabilities. The Moon may therefore influence solar wind plasma well upstream from its surface. Magnetic anomaly interactions and/or non-monotonic near surface potentials provide the most likely candidates to produce the observed precursor effects, which may help ensure quasi-neutrality upstream from the Moon.

Solar↗
DOE OSTI2024

Kinetic study of shock formation and particle acceleration in laser-driven quasi-parallel magnetized collisionless shocks

Quasi-parallel magnetized collisionless shocks are believed to be one of the most efficient accelerators in the universe. Compared to quasi-perpendicular shocks, quasi-parallel shocks are more difficult to form in the laboratory and to simulate because of their large spatial scales and long formation times. Our two-dimensional particle-in-cell simulations show that the early stages of quasi-parallel shock formation are achievable in experiments planned for the National Ignition Facility and that particles accelerated by diffusive shock acceleration (DSA) are expected to be observable in the experiment. Repetitive ion acceleration by crossings of the shock front, a key feature of DSA, is seen in the simulations. Other characteristic features of quasi-parallel shocks such as upstream wave excitation by energetic ions are also observed, and energy partition between the ions and the electrons in the downstream of the shock is briefly discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

A numerical simulation of solar energetic particle dropouts during impulsive events

This paper investigates the conditions for producing rapid variations of solar energetic particle (SEP) intensity commonly known as 'dropouts'. In particular, we use numerical model simulations based on solving the focused transport equation in the three-dimensional Parker interplanetary magnetic field to put constraints on the properties of particle transport coefficients in both directions perpendicular and parallel to the magnetic field. Our calculations of the temporal intensity profile of 0.5 and 5 MeV protons at the Earth show that the perpendicular diffusion must be small while the parallel mean free path is long in order to reproduce the phenomenon of SEP dropouts. When the parallel mean free path is a fraction of 1 AU and the observer is located at 1 AU, the perpendicular to parallel diffusion ratio must be below 10{sup –5} if we want to see the particle flux dropping by at least several times within 3 hr. When the observer is located at a larger solar radial distance, the perpendicular to parallel diffusion ratio for reproducing the dropouts should be even lower than that in the case of 1 AU distance. A shorter parallel mean free path or a larger radial distance from the source to observer will cause the particles to arrive later, making the effects of perpendicular diffusion more prominent and SEP dropouts disappear. All of these effects require the magnetic turbulence that resonates with the particles to be low everywhere in the inner heliosphere.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1987

Experiences with the Lanczos method on a parallel computer

A parallel computer implementation of the Lanczos method for the free-vibration analysis of structures is considered, and results for two example problems show substantial time-reduction over the sequential solutions. The major Lanczos calculation tasks are subdivided into subtasks, and parallelism is introduced at the subtask level. A speedup of 7.8 on eight processors was obtained for the decomposition step of the problem involving a 60-m three-longeron space mast, and a speedup of 14.6 on 16 processors was obtained for the decomposition step of the problem involving a blade-stiffened graphite-epoxy panel.

Bostic, Susan W.↗
DOE OSTI2017

Diving into Petascale Production File Systems through Large Scale Profiling and Analysis

As leadership computing facilities grow their storage capacity into the multi- petabyte range, the number of files and directories leap into the scale of billions. A complete profiling of such a parallel file system in a production environment presents a unique challenge. On one hand, the time, resources, and negative performance impact on production users can make regular profiling difficult. On the other hand, the result of such profiling can yield much needed understanding of the file system's general characteristics, as well as provide insight to how users write and access their data on a grand scale. This paper presents a lightweight and scalable profiling solution that can efficiently walk, analyze, and profile multi-petabyte parallel file systems. This tool has been deployed and is in regular use on very large-scale production parallel file systems at both Oak Ridge National Lab's Oak Ridge Leadership Facility (OLCF) and Lawrence Livermore National Lab's Livermore Computing (LC) facilities. We present the results of our initial analysis on the data collected from these two large-scale production systems, organized into three use cases: (1) file system snapshot and composition, (2) striping pattern analysis for Lustre, and (3) simulated storage capacity utilization in preparation for future file systems. Our analysis shows that on the OLCF file system, over 96% of user files exhibit the default stripe width, potentially limiting performance on large files by underutilizing storage servers and disks. Our simulated block analysis quantitatively shows the space overhead when doing a forklift system migration. It also reveals that due to the difference in system compositions (OLCF vs. LC), we can achieve better performance and space trade-offs by employing different native file system block sizes.

Wang, Feiyi↗
NASA NTRS1996

Aerodynamic Requirements for BVI Noise Control

As a rotor blade moves through the air, it sheds vortices. These vortices shed along the length of the blade over time form the wake. The strongest vortices of the wake are those trailing from the tip of the blade. When a rotating blade system moves under certain operating conditions, each blade will impinge on the tip vortices shed by itself or other blades. This impingement is called a blade-vortex interaction, or BVI. Although the blade and trailing tip vortices interact with many different orientations, one of the two extremes, either parallel or perpendicular interaction, is usually modelled. In a perpendicular interaction, the portion of the blade that is actually interacting with the travelling vortex at any given time is very small. A parallel interaction, however, has the largest concurrent interaction with the blade, as a result this case is given the most attention. One of the most commonly studied occurrences of blade-vortex interactions is associated with low-speed descending rotorcraft flight. BVI occur when the tip vortices shed by the blades intersect the plane of the rotor. BVI cause local pressure changes over the blades which are responsible, in part, for the acoustic signature of the rotorcraft. The local pressure changes also cause vibrations which lead to fatigue of both the blades and the mechanical components driving the blades.

Wells, Valana L.↗
NASA NTRS1995

Parallel Navier-Stokes computations on shared and distributed memory architectures

We study a high order finite difference scheme to solve the time accurate flow field of a jet using the compressible Navier-Stokes equations. As part of our ongoing efforts, we have implemented our numerical model on three parallel computing platforms to study the computational, communication, and scalability characteristics. The platforms chosen for this study are a cluster of workstations connected through fast networks (the LACE experimental testbed at NASA Lewis), a shared memory multiprocessor (the Cray YMP), and a distributed memory multiprocessor (the IBM SPI). Our focus in this study is on the LACE testbed. We present some results for the Cray YMP and the IBM SP1 mainly for comparison purposes. On the LACE testbed, we study: (1) the communication characteristics of Ethernet, FDDI, and the ALLNODE networks and (2) the overheads induced by the PVM message passing library used for parallelizing the application. We demonstrate that clustering of workstations is effective and has the potential to be computationally competitive with supercomputers at a fraction of the cost.

Hayder, M. Ehtesham↗
DOE OSTI2016

Summary of VERA Core Simulator Performance Improvements

This report describes the performance improvements made to the VERA Core Simulator (VERA CS) during FY2016. At the beginning of the year, a timing study was performed to identify areas of the code where the run-times could be improved. This study identified six broad areas for improvement: • Cross section lookup and CMFD stabilization, • CTF parallel partitioning, • MOC methodology, • Subgroup methodology, • MOC parallel partitioning, and • CMFD Krylov solution techniques. The goal of this work was to reduce the VERA-CS run-times so a complete cycle depletion could be run with 1,000 cores overnight (i.e., the “1,000 core depletion” criterion). This goal was set by our industry partners so they could achieve reasonable turnaround on medium-sized computer clusters. The results presented in this report show a code speed-up by a factor of 5, which successfully satisfies the goal set by industry.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

The hydrogen tunneling splitting in malonaldehyde: A full-dimensional time-independent quantum mechanical method

The accurate time-independent quantum dynamics calculations on the ground-state tunneling splitting of malonaldehyde in full dimensionality are reported for the first time. This is achieved with an efficient method developed by us. In our method, the basis functions are customized for the hydrogen transfer process which has the effect of greatly reducing the size of the final Hamiltonian matrix, and the Lanczos method and parallel strategy are used to further overcome the memory and central processing unit time bottlenecks. The obtained ground-state tunneling splitting of 24.5 cm{sup −1} is in excellent agreement with the benchmark value of 23.8 cm{sup −1} computed with the full-dimensional, multi-configurational time-dependent Hartree approach on the same potential energy surface, and we estimate that our reported value has an uncertainty of less than 0.5 cm{sup −1}. Moreover, the role of various vibrational modes strongly coupled to the hydrogen transfer process is revealed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization

In this work, we present DFT-FE 1.0, building on DFT-FE 0.6 [Comput. Phys. Commun. 246, 106853 (2020)], to conduct fast and accurate large-scale density functional theory (DFT) calculations (reaching ~ 100,000 electrons) on both many-core CPU and hybrid CPU-GPU computing architectures. This work involves improvements in the real-space formulation—via an improved treatment of the electrostatic interactions that substantially enhances the computational efficiency—as well high-performance computing aspects, including the GPU acceleration of all the key compute kernels in DFT-FE. We demonstrate the accuracy by comparing the ground-state energies, ionic forces and cell stresses on a wide-range of benchmark systems against those obtained from widely used DFT codes. Further, we demonstrate the numerical efficiency of our implementation, which yields ~ 20× CPU-GPU speed-up by using GPU acceleration on hybrid CPU-GPU nodes. Notably, owing to the parallel-scaling of the GPU implementation, we obtain wall-times of 80–140 seconds for full ground-state calculations, with stringent accuracy, on benchmark systems containing ~ 6, 000 – 15,000 electrons.

pseudopotential↗
DOE OSTI2024

VAN-DAMME: GPU-accelerated and symmetry-assisted quantum optimal control of multi-qubit systems

We present an open-source software package, VAN-DAMME (Versatile Approaches to Numerically Design, Accelerate, and Manipulate Magnetic Excitations), for massively-parallelized quantum optimal control (QOC) calculations of multi-qubit systems. To enable large QOC calculations, the VAN-DAMME software package utilizes symmetry-based techniques with custom GPU-enhanced algorithms. This combined approach allows for the simultaneous computation of hundreds of matrix exponential propagators that efficiently leverage the intra-GPU parallelism found in high-performance GPUs. In addition, to maximize the computational efficiency of the VAN-DAMME code, we carried out several extensive tests on data layout, computational complexity, memory requirements, and performance. These extensive analyses allowed us to develop computationally efficient approaches for evaluating complex-valued matrix exponential propagators based on Padé approximants. To assess the computational performance of our GPU-accelerated VAN-DAMME code, we carried out QOC calculations of systems containing 10 - 15 qubits, which showed that our GPU implementation is 18.4× faster than the corresponding CPU implementation. Our GPU-accelerated enhancements allow efficient calculations of multi-qubit systems, which can be used for the efficient implementation of QOC applications across multiple domains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Spectral quadrature for the first principles study of crystal defects: Application to magnesium

In this work, we present an accurate and efficient finite-difference formulation and parallel implementation of Kohn-Sham Density (Operator) Functional Theory (DFT) for non periodic systems embedded in a bulk environment. Specifically, employing non-local pseudopotentials, local reformulation of electrostatics, and truncation of the spatial Kohn-Sham Hamiltonian, and the Linear Scaling Spectral Quadrature method to solve for the pointwise electronic fields in real-space and the non-local component of the atomic force, we develop a parallel finite difference framework suitable for distributed memory computing architectures to simulate non-periodic systems embedded in a bulk environment. Choosing examples from magnesium-aluminum alloys, we first demonstrate the convergence of energies and forces with respect to spectral quadrature polynomial order, and the width of the spatially truncated Hamiltonian. Next, we demonstrate the parallel scaling of our framework, and show that the computation time and memory scale linearly with respect to the number of atoms. Next, we use the developed framework to simulate isolated point defects and their interactions in magnesium-aluminum alloys. Our findings conclude that the binding energies of divacancies, Al solute-vacancy and two Al solute atoms are anisotropic and are dependent on cell size. Furthermore, the binding is favorable in all three cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Unusual layer-by-layer growth of epitaxial oxide islands during Cu oxidation

Elucidating metal oxide growth mechanisms is essential for precisely designing and fabricating nanostructured oxides with broad applications in energy and electronics. However, current epitaxial oxide growth methods are based on macroscopic empirical knowledge, lacking fundamental guidance at the nanoscale. Using correlated in situ environmental transmission electron microscopy, statistically-validated quantitative analysis, and density functional theory calculations, we show epitaxial Cu 2 O nano-island growth on Cu is layer-by-layer along Cu 2 O(110) planes, regardless of substrate orientation, contradicting classical models that predict multi-layer growth parallel to substrate surfaces. Growth kinetics show cubic relationships with time, indicating individual oxide monolayers follow Frank-van der Merwe growth whereas oxide islands follow Stranski-Krastanov growth. Cu sources for island growth transition from step edges to bulk substrates during oxidation, contrasting with classical corrosion theories which assume subsurface sources predominate. Our results resolve alternative epitaxial island growth mechanisms, improving the understanding of oxidation dynamics critical for advanced manufacturing at the nanoscale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Glassy Dynamics in a heavy ion irradiated NbSe 2 crystal

Fascination with glassy states has persisted since Fisher introduced the vortex-glass as a new thermodynamic phase that is a true superconductor that lacks conventional long-range order. Though Fisher’s original model considered point disorder, it was later predicted that columnar defects (CDs) could also induce glassiness — specifically, a Bose-glass phase. In YBa 2 Cu 3 O 7–x (YBCO), glassy states can cause distinct behavior in the temperature (T) dependent rate of thermally activated vortex motion (S). The vortex-glass state produces a plateau in S(T) whereas a Bose-glass can transition into a state hosting vortex excitations called double-kinks that can expand, creating a large peak in S(T). Although glass phases have been well-studied in YBCO, few studies exist of other materials containing CDs that could contribute to distinguishing universal behavior. Here, we report on the effectiveness of CDs tilted ~30° from the c-axis in reducing S in a NbSe 2 crystal. The magnetization is 5 times higher and S is minimized when the field is parallel to the defects versus aligned with the c-axis. We see signatures of glassiness in both field orientations, but do not observe a peak in S(T) nor a plateau at values observed in YBCO. Lastly, we discuss the possibility that competing disorder induces a field-orientation-driven transition from a Bose-glass to an anisotropic glass involving both point and columnar disorder.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Simulating single-particle dynamics in magnetized plasmas: The RMF code

The RMF (Rotating Magnetic Field) code is designed to calculate the motion of a charged particle in a given electromagnetic field. It integrates Hamilton’s equations in cylindrical coordinates using an adaptive predictor-corrector double-precision variable-coefficient ordinary differential equation solver for speed and accuracy. RMF has multiple capabilities for the field. Particle motion is initialized by specifying the position and velocity vectors. Here, the six-dimensional state vector and derived quantities are saved as functions of time. A post-processing graphics code, XDRAW, is used on the stored output to plot up to 12 windows of any two quantities using different colors to denote successive time intervals. Multiple cases of RMF may be run in parallel and perform data mining on the results. Recent features are a synthetic diagnostic for simulating the observations of charge-exchange-neutral energy distributions and RF grids to explore a Fermi acceleration parallel to static magnetic fields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Initial position optimization in molecular dynamics simulations for a Coulomb system

A new algorithm for molecular dynamics (MD) simulations is developed to optimize plasma particle distributions at given initial temperatures. By combining velocity scaling and reassignment, the method effectively eliminates the initial rise and oscillation in temperatures observed with randomly distributed positions. These rises and oscillations are undesired numerical artifacts observed in conventional plasma MD simulations, arising from unoptimized particle positions. The algorithm demonstrates temperature relaxation without initial rises or oscillations, as well as precise flow velocity relaxation, enabling accurate measurement of relaxation times. The code is accelerated using graphics processing units for parallel processing, enhancing the study of plasma dynamics. The proposed method for distributing physically valid particles in MD simulations enables accurate studies of intrinsic collision processes in plasmas, including the dynamics of strongly coupled plasmas, plasma–wave interactions, and transport phenomena in magnetized plasmas. The paper concludes with a discussion of potential applications and future enhancements to the algorithm.

Jo, Jawon (ORCID:0009000924193285)↗