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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

Parallel algorithms and archtectures for computational structural mechanics

The determination of the fundamental (lowest) natural vibration frequencies and associated mode shapes is a key step used to uncover and correct potential failures or problem areas in most complex structures. However, the computation time taken by finite element codes to evaluate these natural frequencies is significant, often the most computationally intensive part of structural analysis calculations. There is continuing need to reduce this computation time. This study addresses this need by developing methods for parallel computation.

Patrick, Merrell↗
DOE OSTI2015

Combining Phase Identification and Statistic Modeling for Automated Parallel Benchmark Generation

Parallel application benchmarks are indispensable for evaluating/optimizing HPC software and hardware. However, it is very challenging and costly to obtain high-fidelity benchmarks reflecting the scale and complexity of state-of-the-art parallel applications. Hand-extracted synthetic benchmarks are time-and labor-intensive to create. Real applications themselves, while offering most accurate performance evaluation, are expensive to compile, port, reconfigure, and often plainly inaccessible due to security or ownership concerns. This work contributes APPRIME, a novel tool for trace-based automatic parallel benchmark generation. Taking as input standard communication-I/O traces of an application's execution, it couples accurate automatic phase identification with statistical regeneration of event parameters to create compact, portable, and to some degree reconfigurable parallel application benchmarks. Experiments with four NAS Parallel Benchmarks (NPB) and three real scientific simulation codes confirm the fidelity of APPRIME benchmarks. They retain the original applications' performance characteristics, in particular the relative performance across platforms.

Jin, Ye↗
NASA NTRS1990

Parallelism in backward-chained expert systems - Experimental results

There are many applications which may be done by an expert system in real time, if the system is capable of real-time response. The LISP and PROLOG-based expert systems have typically been too slow for real-time response. This has led to an effort to use other languages, the development of fast pattern matching techniques and other methods of improving the speed of expert systems. Another approach to developing faster expert systems is to make use of the emerging parallel processing computer technology. A further use for parallelism is to allow reasonable response time for large knowledge bases. The size of knowledge bases may become as large as 20,000 chunks of knowledge (and more) in the near future in medical and space applications. This paper describes the use of parallel processing in the EMYCIN backward chained rule-based model.

Hall, Lawrence O.↗
DOE OSTI2014

Parallel ptychographic reconstruction

Ptychography is an imaging method whereby a coherent beam is scanned across an object, and an image is obtained by iterative phasing of the set of diffraction patterns. It is able to be used to image extended objects at a resolution limited by scattering strength of the object and detector geometry, rather than at an optics-imposed limit. As technical advances allow larger fields to be imaged, computational challenges arise for reconstructing the correspondingly larger data volumes, yet at the same time there is also a need to deliver reconstructed images immediately so that one can evaluate the next steps to take in an experiment. Here we present a parallel method for real-time ptychographic phase retrieval. It uses a hybrid parallel strategy to divide the computation between multiple graphics processing units (GPUs) and then employs novel techniques to merge sub-datasets into a single complex phase and amplitude image. Results are shown on a simulated specimen and a real dataset from an X-ray experiment conducted at a synchrotron light source.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

SU-F-SPS-09: Parallel MC Kernel Calculations for VMAT Plan Improvement

Purpose: Adding kernels (small perturbations in leaf positions) to the existing apertures of VMAT control points may improve plan quality. We investigate the calculation of kernel doses using a parallelized Monte Carlo (MC) method. Methods: A clinical prostate VMAT DICOM plan was exported from Eclipse. An arbitrary control point and leaf were chosen, and a modified MLC file was created, corresponding to the leaf position offset by 0.5cm. The additional dose produced by this 0.5 cm × 0.5 cm kernel was calculated using the DOSXYZnrc component module of BEAMnrc. A range of particle history counts were run (varying from 3 × 10{sup 6} to 3 × 10{sup 7}); each job was split among 1, 10, or 100 parallel processes. A particle count of 3 × 10{sup 6} was established as the lower range because it provided the minimal accuracy level. Results: As expected, an increase in particle counts linearly increases run time. For the lowest particle count, the time varied from 30 hours for the single-processor run, to 0.30 hours for the 100-processor run. Conclusion: Parallel processing of MC calculations in the EGS framework significantly decreases time necessary for each kernel dose calculation. Particle counts lower than 1 × 10{sup 6} have too large of an error to output accurate dose for a Monte Carlo kernel calculation. Future work will investigate increasing the number of parallel processes and optimizing run times for multiple kernel calculations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Spin glass dynamics at the mesoscale

The mesoscale provides a new probe of spin glass dynamics. Because the spin glass lower critical dimension d l > 2 , the growth of the correlation length ξ ( t , T ) can change the nature of the spin glass state at a crossover time t co when ξ ( t co , T ) = ℓ , a minimum characteristic sample length (e.g., film thickness for thin films and crystallite size for bulk samples). For thin films, and times t < t co such that ξ ( t , T ) < ℓ , conventional three-dimensional dynamics is observed. When t > t co , a crossover to d = 2 behavior takes place. The parallel correlation length, associated with a T g = 0 transition, increases in time from the saturated value of the perpendicular correlation length ℓ to an equilibrium value of the parallel correlation length proportional to T - ν . This results in a pancakelike correlated state, with a thickness ℓ and a temperature-dependent in-plane radius that increases with decreasing temperature. Activated dynamics is associated with these states. Measurements on Cu:Mn thin films are analyzed quantitatively within this framework. We extract a temperature-dependent activation energy from a fit to the frequency dependence of the dynamic susceptibility. The extrapolated temperature at which the activation energy would become large is close to the extrapolated glass transition temperature from ac susceptibility measurements. All known relevant experimental data are consistent with this method. For polycrystalline materials, there is a distribution of length scales P ( ℓ ) . For sufficiently broad distributions, a logarithmic time dependence is derived for the time decay of the thermoremanent magnetization M TRM ( t , T ) using an approach originally derived by Ma. Properties dependent upon an effective waiting time t w eff are derived that are consistent with experiment, and additional measurements are suggested.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Performance Analysis of Speculative Parallel Adaptive Local Timestepping for Conservation Laws

Stable simulation of conservation laws, such as those used to model fluid dynamics and plasma physics applications, requires the satisfaction of the so-called Courant-Friedrichs-Lewy condition. By allowing regions of the mesh to advance with different timesteps that locally satisfy this stability constraint, significant work reduction can be attained when compared to a time integration scheme using a single timestep size. However, parallelizing this algorithm presents considerable difficulty. Since the stability condition depends on the state of the system, dependencies become dynamic and potentially non-local. In this article, we present an adaptive local timestepping algorithm using an optimistic (Timewarp-based) parallel discrete event simulation. We introduce waiting heuristics to limit misspeculation and a semi-static load balancing scheme to eliminate load imbalance as parts of the mesh require finer or coarser timesteps. Last, we outline an interface for separating the physics of the specific conservation law from the temporal integration allowing for productive adoption of our proposed algorithm. We present a misspeculation study for three conservation laws, demonstrating both the productivity of the local timestepping API, for which 74% of the lines of code are reused across different conservation laws, and the robustness of the waiting heuristics—at most 1.5% of element updates are rolled back. Our performance studies demonstrate up to a 2.8× speedup versus a baseline unoptimized local timestepping approach, a 4x improvement in per-node throughput compared to an MPI parallelization of synchronous timestepping, and scalability up to 3,072 cores on NERSC’s Cori Haswell partition.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Ensemble Sampling vs. Time Sampling in Molecular Dynamics Simulations of Thermal Conductivity

In this report we compare time sampling and ensemble averaging as two different methods available for phase space sampling. For the comparison, we calculate thermal conductivities of solid argon and silicon structures, using equilibrium molecular dynamics. We introduce two different schemes for the ensemble averaging approach, and show that both can reduce the total simulation time as compared to time averaging. It is also found that velocity rescaling is an efficient mechanism for phase space exploration. Although our methodology is tested using classical molecular dynamics, the ensemble generation approaches may find their greatest utility in computationally expensive simulations such as first principles molecular dynamics. For such simulations, where each time step is costly, time sampling can require long simulation times because each time step must be evaluated sequentially and therefore phase space averaging is achieved through sequential operations. On the other hand, with ensemble averaging, phase space sampling can be achieved through parallel operations, since each ensemble is independent. For this reason, particularly when using massively parallel architectures, ensemble sampling can result in much shorter simulation times and exhibits similar overall computational effort.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1987

MPF: A portable message passing facility for shared memory multiprocessors

The design, implementation, and performance evaluation of a message passing facility (MPF) for shared memory multiprocessors are presented. The MPF is based on a message passing model conceptually similar to conversations. Participants (parallel processors) can enter or leave a conversation at any time. The message passing primitives for this model are implemented as a portable library of C function calls. The MPF is currently operational on a Sequent Balance 21000, and several parallel applications were developed and tested. Several simple benchmark programs are presented to establish interprocess communication performance for common patterns of interprocess communication. Finally, performance figures are presented for two parallel applications, linear systems solution, and iterative solution of partial differential equations.

Malony, Allen D.↗
NASA NTRS2018

Trajectory Design Considerations for Exploration Mission 1

Exploration Mission 1 (EM-1) will be the first mission to send an uncrewed Orion Multi-Purpose Crew Vehicle (MPCV) to cislunar space in the fall of 2019. EM-1 was originally conceived as a lunar free-return mission, but was later changed to a Distant Retrograde Orbit (DRO) mission as a precursor to the Asteroid Redirect Mission. To understand the required mission performance (i.e., propellant requirement), a series of trajectory optimization runs was conducted using JSC's Copernicus spacecraft trajectory optimization tool. In order for the runs to be done in a timely manner, it was necessary to employ a parallelization approach on a computing cluster using a new trajectory scan tool written in Python. Details of the scan tool are provided and how it is used to perform the scans and post-process the results. Initially, a scan of daily due east launched EM-1 DRO missions in 2018 was made. Valid mission opportunities are ones that do not exceed the useable propellant available to perform the required burns. The initial scan data showed the propellant and delta-V performance patterns for each launch period. As questions were raised from different subsystems (e.g., power, thermal, communications, flight operations, etc.), the mission parameters or data that were of interest to them were added to the scan output data file. The additional data includes: (1) local launch and landing times in relation to sunrise and sunset, (2) length of eclipse periods during the in-space portion of the mission, (3) Earth line of sight from cislunar space, (4) Deep Space Network field of view looking towards cislunar space, and (5) variation of the downrange distance from Earth entry interface to splashdown. Mission design trades can also be performed based on the information that the additional data shows. For example, if the landing is in darkness, but the recovery operations team desires a landing in daylight, then an analysis is performed to determine how to change the mission design to meet this request. Also, subsystems request feasibility of alternate or contingency mission designs, such as adding an Orion main engine checkout burn or Orion completing all of its burns using only its auxiliary thrusters. This paper examines and presents the evolving trade studies that incorporate subsystem feedback and demonstrate the feasibility of these constrained mission trajectory designs and contingencies.

Dawn, Timothy F.↗
NASA NTRS1998

Implementation of a Parallel Kalman Filter for Stratospheric Chemical Tracer Assimilation

A Kalman filter for the assimilation of long-lived atmospheric chemical constituents has been developed for two-dimensional transport models on isentropic surfaces over the globe. An important attribute of the Kalman filter is that it calculates error covariances of the constituent fields using the tracer dynamics. Consequently, the current Kalman-filter assimilation is a five-dimensional problem (coordinates of two points and time), and it can only be handled on computers with large memory and high floating point speed. In this paper, an implementation of the Kalman filter for distributed-memory, message-passing parallel computers is discussed. Two approaches were studied: an operator decomposition and a covariance decomposition. The latter was found to be more scalable than the former, and it possesses the property that the dynamical model does not need to be parallelized, which is of considerable practical advantage. This code is currently used to assimilate constituent data retrieved by limb sounders on the Upper Atmosphere Research Satellite. Tests of the code examined the variance transport and observability properties. Aspects of the parallel implementation, some timing results, and a brief discussion of the physical results will be presented.

Chang, Lang-Ping↗
NASA NTRS1994

Advanced information processing system: The Army Fault-Tolerant Architecture detailed design overview

The Army Avionics Research and Development Activity (AVRADA) is pursuing programs that would enable effective and efficient management of large amounts of situational data that occurs during tactical rotorcraft missions. The Computer Aided Low Altitude Night Helicopter Flight Program has identified automated Terrain Following/Terrain Avoidance, Nap of the Earth (TF/TA, NOE) operation as key enabling technology for advanced tactical rotorcraft to enhance mission survivability and mission effectiveness. The processing of critical information at low altitudes with short reaction times is life-critical and mission-critical necessitating an ultra-reliable/high throughput computing platform for dependable service for flight control, fusion of sensor data, route planning, near-field/far-field navigation, and obstacle avoidance operations. To address these needs the Army Fault Tolerant Architecture (AFTA) is being designed and developed. This computer system is based upon the Fault Tolerant Parallel Processor (FTPP) developed by Charles Stark Draper Labs (CSDL). AFTA is hard real-time, Byzantine, fault-tolerant parallel processor which is programmed in the ADA language. This document describes the results of the Detailed Design (Phase 2 and 3 of a 3-year project) of the AFTA development. This document contains detailed descriptions of the program objectives, the TF/TA NOE application requirements, architecture, hardware design, operating systems design, systems performance measurements and analytical models.

Harper, Richard E.↗
NASA NTRS1990

Mapping unstructured grid problems to the connection machine

We present a highly parallel graph mapping technique that enables one to solve unstructured grid problems on massively parallel computers. Many implicit and explicit methods for solving discretizated partial differential equations require each point in the discretization to exchange data with its neighboring points every time step or iteration. The time spent communicating can limit the high performance promised by massively parallel computing. To eliminate this bottleneck, we map the graph of the irregular problem to the graph representing the interconnection topology of the computer such that the sum of the distances that the messages travel is minimized. We show that, in comparison to a naive assignment of processors, our heuristic mapping algorithm significantly reduces the communication time on the Connection Machine, CM-2.

Hammond, Steven W.↗
NASA NTRS1993

A parallel algorithm for computing the eigenvalues of a symmetric tridiagonal matrix

A parallel algorithm, called polysection, is presented for computing the eigenvalues of a symmetric tridiagonal matrix. The method is based on a quadratic recurrence in which the characteristic polynomial is constructed on a binary tree from polynomials whose degree doubles at each level. Intervals that contain exactly one zero are determined by the zeros of polynomials at the previous level which ensures that different processors compute different zeros. The signs of the polynomials at the interval endpoints are determined a priori and used to guarantee that all zeros are found. The use of finite-precision arithmetic may result in multiple zeros; however, in this case, the intervals coalesce and their number determines exactly the multiplicity of the zero. For an N x N matrix the eigenvalues can be determined in O(log-squared N) time with N-squared processors and O(N) time with N processors. The method is compared with a parallel variant of bisection that requires O(N-squared) time on a single processor, O(N) time with N processors, and O(log N) time with N-squared processors.

Swarztrauber, Paul N.↗
DOE OSTI2014

Parallel analysis tools and new visualization techniques for ultra-large climate data set

ParVis was a project funded under LAB 10-05: “Earth System Modeling: Advanced Scientific Visualization of Ultra-Large Climate Data Sets”. Argonne was the lead lab with partners at PNNL, SNL, NCAR and UC-Davis. This report covers progress from January 1st, 2013 through Dec 1st, 2014. Two previous reports covered the period from Summer, 2010, through September 2011 and October 2011 through December 2012, respectively. While the project was originally planned to end on April 30, 2013, personnel and priority changes allowed many of the institutions to continue work through FY14 using existing funds. A primary focus of ParVis was introducing parallelism to climate model analysis to greatly reduce the time-to-visualization for ultra-large climate data sets. Work in the first two years was conducted on two tracks with different time horizons: one track to provide immediate help to climate scientists already struggling to apply their analysis to existing large data sets and another focused on building a new data-parallel library and tool for climate analysis and visualization that will give the field a platform for performing analysis and visualization on ultra-large datasets for the foreseeable future. In the final 2 years of the project, we focused mostly on the new data-parallel library and associated tools for climate analysis and visualization.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Finite-frequency Sensitivity Kernels in Spherical Geometry for Time–Distance Helioseismology

The inference of internal properties of the Sun from surface measurements of wave travel times is the goal of time–distance helioseismology. A critical step toward the accurate interpretation of shifts in travel time is the computation of sensitivity functions linking seismic measurements to internal structure. Here we calculate finite-frequency sensitivity kernels in spherical geometry for two-point measurements of travel time. We numerically build Green’s function by solving for it at each frequency and each degree of spherical harmonic and summing over all these pieces. These computations are performed in parallel (“embarrassingly”), thereby achieving significant speedup in wall-clock time. Kernels are calculated by invoking the first-order Born approximation connecting deviations in the wave field to perturbations in the operator. Validated flow kernels are shown to produce travel times within 0.47% of the true value for uniform flows up to 750 m s{sup −1}. We find that travel time can be obtained with errors of 1 ms or less for flows having magnitudes similar to meridional circulation. Alongside flows, we also compute and validate a sensitivity kernel for perturbations in sound speed. These accurate sensitivity kernels might improve the current inferences of subsurface flows significantly.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

ACCELERATION OF LOW-ENERGY IONS AT PARALLEL SHOCKS WITH A FOCUSED TRANSPORT MODEL

We present a test particle simulation on the injection and acceleration of low-energy suprathermal particles by parallel shocks with a focused transport model. The focused transport equation contains all necessary physics of shock acceleration, but avoids the limitation of diffusive shock acceleration (DSA) that requires a small pitch angle anisotropy. This simulation verifies that the particles with speeds of a fraction of to a few times the shock speed can indeed be directly injected and accelerated into the DSA regime by parallel shocks. At higher energies starting from a few times the shock speed, the energy spectrum of accelerated particles is a power law with the same spectral index as the solution of standard DSA theory, although the particles are highly anisotropic in the upstream region. The intensity, however, is different from that predicted by DSA theory, indicating a different level of injection efficiency. It is found that the shock strength, the injection speed, and the intensity of an electric cross-shock potential (CSP) jump can affect the injection efficiency of the low-energy particles. A stronger shock has a higher injection efficiency. In addition, if the speed of injected particles is above a few times the shock speed, the produced power-law spectrum is consistent with the prediction of standard DSA theory in both its intensity and spectrum index with an injection efficiency of 1. CSP can increase the injection efficiency through direct particle reflection back upstream, but it has little effect on the energetic particle acceleration once the speed of injected particles is beyond a few times the shock speed. This test particle simulation proves that the focused transport theory is an extension of DSA theory with the capability of predicting the efficiency of particle injection.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1984

Riemann Curvature tensor in nonholonomic coordinates and non-Riemannian space-times

The calculation of the Riemann Curvature from the deviation of a vector undergoing parallel transport around a closed loop takes a very simple form when expressed in generalized geometrical notation. The parallel transport of a vector and the type of closed loop used in the calculation are discussed. The method generalizes similar work of Morganstern (1977) to nonholonomic coordinates and non-Riemannian space-times.

Smalley, L. L.↗