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NASA NTRS1987

Optimal mapping of irregular finite element domains to parallel processors

Mapping the solution domain of n-finite elements into N-subdomains that may be processed in parallel by N-processors is an optimal one if the subdomain decomposition results in a well-balanced workload distribution among the processors. The problem is discussed in the context of irregular finite element domains as an important aspect of the efficient utilization of the capabilities of emerging multiprocessor computers. Finding the optimal mapping is an intractable combinatorial optimization problem, for which a satisfactory approximate solution is obtained here by analogy to a method used in statistical mechanics for simulating the annealing process in solids. The simulated annealing analogy and algorithm are described, and numerical results are given for mapping an irregular two-dimensional finite element domain containing a singularity onto the Hypercube computer.

Flower, J.↗

DOE OSTI2024

Force Field X: A computational microscope to study genetic variation and organic crystals using theory and experiment

Force Field X (FFX) is an open-source software package for atomic resolution modeling of genetic variants and organic crystals that leverages advanced potential energy functions and experimental data. FFX currently consists of nine modular packages with novel algorithms that include global optimization via a many-body expansion, acid–base chemistry using polarizable constant-pH molecular dynamics, estimation of free energy differences, generalized Kirkwood implicit solvent models, and many more. Applications of FFX focus on the use and development of a crystal structure prediction pipeline, biomolecular structure refinement against experimental datasets, and estimation of the thermodynamic effects of genetic variants on both proteins and nucleic acids. The use of Parallel Java and OpenMM combines to offer shared memory, message passing, and graphics processing unit parallelization for high performance simulations. Overall, the FFX platform serves as a computational microscope to study systems ranging from organic crystals to solvated biomolecular systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Multi-fidelity is the new annealing: Gradient-free learning of posterior densities via transport maps

To tackle concentrated, multi-modal Bayesian inference problems, we propose using an annealed importance sampling procedure. To do this, we form a sequence of annealed distributions and employ transport maps to act as a surrogate of each distribution. This process is demonstrated on a few examples, favorably showing its potential for efficiently parallelizing the process of PDE evaluations and allowing for surrogates that we can sample from exactly.

van Bloemen Waanders, Bart G [Sandia National Labo↗

NASA NTRS1993

Massively Parallel Neurocomputing for Aerospace Applications

An innovative hybrid, analog-digital charge-domain technology, for the massively parallel VLSI implementation of certain large scale matrix-vector operations, has recently been introduced. It employs arrays of Charge Coupled/Charge Injection Device cells holding an analog matrix of charge, which process digital vectors in parallel by means of binary, non-destructive charge transfer operations. The impact of this technology on massively parallel processing is discussed.

massively↗

NASA NTRS1972

Some new techniques for processing remotely obtained images by self-generated spectral masks.

An extension of a new technique that makes possible parallel, simultaneous processing of remotely obtained images is presented. The technique holds out promise for automatic onboard classification of data. The central feature involves the generation of binary masks, directly from the image, based on object reflectance data, that group objects into equivalence classes. These masks, called equivalence class masks, can be used in various logical combinations to isolate classes of objects with a priori known reflectance or radiance signatures. Experimental verification of the technique is furnished for simple scenes. A computational scheme, based on a sequence of integrated irradiance measurements on the image, that makes it possible to identify objects within an equivalence class is suggested.

Stark, H.↗

DOE OSTI2024

Parallel interior-point solver for block-structured nonlinear programs on SIMD/GPU architectures

Here, we investigate how to port the standard interior-point method to new exascale architectures for block-structured nonlinear programs with state equations. Computationally, we decompose the interior-point algorithm into two successive operations: the evaluation of the derivatives and the solution of the associated Karush-Kuhn-Tucker (KKT) linear system. Our method accelerates both operations using two levels of parallelism. First, we distribute the computations on multiple processes using coarse parallelism. Second, each process uses SIMD/GPU accelerators locally to accelerate the operations using fine-grained parallelism. The KKT system is reduced by eliminating the inequalities and the state variables from the corresponding equations. We demonstrate our method's capability on the supercomputer Polaris, a testbed for the future exascale Aurora system. Each node is equipped with four GPUs, a setup amenable to our two-level approach. Our experiments on the stochastic optimal power flow problem show that the reduction method is 50x faster than the sparse linear solver HSL MA57 running in serial on the CPU, and 6x faster than Pardiso running in parallel on CPU on the same number of processes.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1994

Low-freqency instabilities and the resulting velocity distributions of pickup ions at comet Halley

The interaction between the solar wind and newborn cometary ions is studied using a new analytical theory as well as one- and two-dimensional hybrid simulations. Using the observed parameters upstream of the comet Halley, a detailed study of wave excitation and the resulting particle distributions is presentd. Linear theory as well as simulations show that a variety of modes such as the fast magnetosonic mode, high frequency whistlers and obliquely propagating Alfven ion cyclotron waves can be excited. However, parallel propagating waves are found to be dominant in the wave spectrum and to control the scattering of the pickup ions. Several features of the observed distributions of pickup protons are explained. In particular, it is shown that the observed asymmetric pitch distribution for the pickup protons is due to the small saturation amplitude of the waves for the given parameters. Water group associated waves can lead to energy diffusion and further pitch angle scattering of protons. This effect is most likely to be important in the vicinity of the bow shock of comet Halley where the density of water group ions becomes comparable to that of protons. It is shown that the observed increase in the radius of the proton velocity shell just outside the bow shock can be due to water group waves. The nearby isotropic proton pitch angle distribution observed by Neugebauer et al. (1989) just outside the bow shock may, however, be related to the presence of a rotational discontinuity which has been identified in the magnetic field data. Just outside the bow shock, simulations show that parallel propagating water group waves can steepen with attached whistler wave packets. The steepening process at parallel propagation is a transient effect, in an important contrast to the case of steepening at oblique angles. The smaller beam densitites at comet Halley appears to be the main reason not only why waves at comet Halley have smaller amplitudes but also why oblique, steepening magnetosonic waves have not been detected at comet Halley, whereas they have been seen at comet Giacobini-Zinner. Halley, whereas they have been seen at comet Giacobini-Zinner.

Karimabadi, H.↗

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↗

NASA NTRS1992

Application of multirate digital filter banks to wideband all-digital phase-locked loops design

A new class of architecture for all-digital phase-locked loops (DPLL's) is presented in this article. These architectures, referred to as parallel DPLL (PDPLL), employ multirate digital filter banks (DFB's) to track signals with a lower processing rate than the Nyquist rate, without reducing the input (Nyquist) bandwidth. The PDPLL basically trades complexity for hardware-processing speed by introducing parallel processing in the receiver. It is demonstrated here that the DPLL performance is identical to that of a PDPLL for both steady-state and transient behavior. A test signal with a time-varying Doppler characteristic is used to compare the performance of both the DPLL and the PDPLL.

Sadr, R.↗

NASA NTRS1993

Application of multirate digital filter banks to wideband all-digital phase-locked loops design

Sadr, Ramin↗

NASA NTRS2000

Fast Particle Methods for Multiscale Phenomena Simulations

We are developing particle methods oriented at improving computational modeling capabilities of multiscale physical phenomena in : (i) high Reynolds number unsteady vortical flows, (ii) particle laden and interfacial flows, (iii)molecular dynamics studies of nanoscale droplets and studies of the structure, functions, and evolution of the earliest living cell. The unifying computational approach involves particle methods implemented in parallel computer architectures. The inherent adaptivity, robustness and efficiency of particle methods makes them a multidisciplinary computational tool capable of bridging the gap of micro-scale and continuum flow simulations. Using efficient tree data structures, multipole expansion algorithms, and improved particle-grid interpolation, particle methods allow for simulations using millions of computational elements, making possible the resolution of a wide range of length and time scales of these important physical phenomena.The current challenges in these simulations are in : [i] the proper formulation of particle methods in the molecular and continuous level for the discretization of the governing equations [ii] the resolution of the wide range of time and length scales governing the phenomena under investigation. [iii] the minimization of numerical artifacts that may interfere with the physics of the systems under consideration. [iv] the parallelization of processes such as tree traversal and grid-particle interpolations We are conducting simulations using vortex methods, molecular dynamics and smooth particle hydrodynamics, exploiting their unifying concepts such as : the solution of the N-body problem in parallel computers, highly accurate particle-particle and grid-particle interpolations, parallel FFT's and the formulation of processes such as diffusion in the context of particle methods. This approach enables us to transcend among seemingly unrelated areas of research.

Koumoutsakos, P.↗

NASA NTRS1989

Parallel asynchronous systems and image processing algorithms

A new hardware approach to implementation of image processing algorithms is described. The approach is based on silicon devices which would permit an independent analog processing channel to be dedicated to evey pixel. A laminar architecture consisting of a stack of planar arrays of the device would form a two-dimensional array processor with a 2-D array of inputs located directly behind a focal plane detector array. A 2-D image data stream would propagate in neuronlike asynchronous pulse coded form through the laminar processor. Such systems would integrate image acquisition and image processing. Acquisition and processing would be performed concurrently as in natural vision systems. The research is aimed at implementation of algorithms, such as the intensity dependent summation algorithm and pyramid processing structures, which are motivated by the operation of natural vision systems. Implementation of natural vision algorithms would benefit from the use of neuronlike information coding and the laminar, 2-D parallel, vision system type architecture. Besides providing a neural network framework for implementation of natural vision algorithms, a 2-D parallel approach could eliminate the serial bottleneck of conventional processing systems. Conversion to serial format would occur only after raw intensity data has been substantially processed. An interesting challenge arises from the fact that the mathematical formulation of natural vision algorithms does not specify the means of implementation, so that hardware implementation poses intriguing questions involving vision science.

Coon, D. D.↗

NASA NTRS2008

GOES-R Geostationary Lightning Mapper Performance Specifications and Algorithms

The Geostationary Lightning Mapper (GLM) is a single channel, near-IR imager/optical transient event detector, used to detect, locate and measure total lightning activity over the full-disk. The next generation NOAA Geostationary Operational Environmental Satellite (GOES-R) series will carry a GLM that will provide continuous day and night observations of lightning. The mission objectives for the GLM are to: (1) Provide continuous, full-disk lightning measurements for storm warning and nowcasting, (2) Provide early warning of tornadic activity, and (2) Accumulate a long-term database to track decadal changes of lightning. The GLM owes its heritage to the NASA Lightning Imaging Sensor (1997- present) and the Optical Transient Detector (1995-2000), which were developed for the Earth Observing System and have produced a combined 13 year data record of global lightning activity. GOES-R Risk Reduction Team and Algorithm Working Group Lightning Applications Team have begun to develop the Level 2 algorithms and applications. The science data will consist of lightning "events", "groups", and "flashes". The algorithm is being designed to be an efficient user of the computational resources. This may include parallelization of the code and the concept of sub-dividing the GLM FOV into regions to be processed in parallel. Proxy total lightning data from the NASA Lightning Imaging Sensor on the Tropical Rainfall Measuring Mission (TRMM) satellite and regional test beds (e.g., Lightning Mapping Arrays in North Alabama, Oklahoma, Central Florida, and the Washington DC Metropolitan area) are being used to develop the prelaunch algorithms and applications, and also improve our knowledge of thunderstorm initiation and evolution.

Mach, Douglas M.↗

NASA NTRS2008

Software for Verifying Image-Correlation Tie Points

A computer program enables assessment of the quality of tie points in the image-correlation processes of the software described in the immediately preceding article. Tie points are computed in mappings between corresponding pixels in the left and right images of a stereoscopic pair. The mappings are sometimes not perfect because image data can be noisy and parallax can cause some points to appear in one image but not the other. The present computer program relies on the availability of a left- right correlation map in addition to the usual right left correlation map. The additional map must be generated, which doubles the processing time. Such increased time can now be afforded in the data-processing pipeline, since the time for map generation is now reduced from about 60 to 3 minutes by the parallelization discussed in the previous article. Parallel cluster processing time, therefore, enabled this better science result. The first mapping is typically from a point (denoted by coordinates x,y) in the left image to a point (x',y') in the right image. The second mapping is from (x',y') in the right image to some point (x",y") in the left image. If (x,y) and(x",y") are identical, then the mapping is considered perfect. The perfect-match criterion can be relaxed by introducing an error window that admits of round-off error and a small amount of noise. The mapping procedure can be repeated until all points in each image not connected to points in the other image are eliminated, so that what remains are verified correlation data.

Klimeck, Gerhard↗

NASA NTRS2022

Balancing Predictive and Reactive Science Planning for Mars 2020 Perseverance

The design of the science planning process for a space science mission needs to find a balance between operational and resource constraints and scientific decision-making. Science planning has previously been characterized as either predictive or reactive. Predictive science planning is needed when constraints drive science activities to be planned far in advance. For example, a combination of long one-way light time plus high-stakes science decisions drove the Cassini-Huygens mission to Saturn to have an extremely predictive planning process. On the other extreme, reactive science planning is needed when constraints drive science activities to be planned based on the results of the previous plan. For example, the Mars Exploration Rover mission interacted with the surface of Mars, and so the planning team needed to know the state of the rover at the end of each planning cycle before starting the next cycle. Operational and resource constraints that require management on intermediate timescales has led to the development of a science planning process between these two extremes. For example, the Mars Science Laboratory is a technically complex rover and has a parallel predictive process that allows the operations team to manage engineering constraints several days in advance while maintaining the reactive tactical planning process similar to that of MER. The Mars 2020 Perseverance rover is a technically complex rover in the MSL style, but has an added layer of science complexity: it is tasked with collecting a returnable cache of scientifically valuable samples of Mars within prime mission. Thus, the science planning process also needs to accommodate high-stakes longer-term science decisions in the style of Cassini. In order to balance the push-pull of these constraints, we have developed a science campaign-focused operational paradigm for Mars 2020 Perseverance that allows for both predictive planning to accommodate technological complexity and high-stakes science decisions as well as reactive planning to accommodate the realities of interacting with the martian surface. This paradigm influenced the design of operational processes and operational tools.

Spanovich, Nicole↗

NASA NTRS1977

A quasi-linear control theory analysis of timesharing skills

Performance with practice on two dual-task combinations, dual-axis tracking and two discrete information processing tasks, is examined in an effort to identify the presence and development of specific time sharing skills, such as parallel information processing or rapid intertask switching. The generality of time sharing skills also is investigated by examining transfer of these skills between the two qualitatively different task combinations.

Damos, D.↗

NASA NTRS2006

LDCM Grid Prototype (LGP)

The LGP successfully demonstrated that grid technology could be used to create a collaboration among research scientists, their science development machines, and distributed data to create a science production system in a nationally distributed environment. Grid technology provides a low cost and effective method of enabling production of science products by the science community. To demonstrate this, the LGP partnered with NASA GSFC scientists and used their existing science algorithms to generate virtual Landsat-like data products using distributed data resources. LGP created 48 output composite scenes with 4 input scenes each for a total of 192 scienes processed in parallel. The demonstration took 12 hours, which beat the requirement by almost 50 percent, well within the LDCM requirement to process 250 scenes per day. The LGP project also showed the successful use of workflow tools to automate the processing. Investing in this technology has led to funding for a ROSES ACCESS proposal. The proposal intends to enable an expert science user to produce products from a number of similar distributed instrument data sets using the Land Cover Change Community-based Processing and Analysis System (LC-ComPS) Toolbox. The LC-ComPS Toolbox is a collection of science algorithms that enable the generation of data with ground resolution on the order of Landsat-class instruments.

Weinstein, Beth↗

NASA NTRS1999

Launch Vehicle Design Process Description and Training Formulation

A primary NASA priority is to reduce the cost and improve the effectiveness of launching payloads into space. As a consequence, significant improvements are being sought in the effectiveness, cost, and schedule of the launch vehicle design process. In order to provide a basis for understanding and improving the current design process, a model has been developed for this complex, interactive process, as reported in the references. This model requires further expansion in some specific design functions. Also, a training course for less-experienced engineers is needed to provide understanding of the process, to provide guidance for its effective implementation, and to provide a basis for major improvements in launch vehicle design process technology. The objective of this activity is to expand the description of the design process to include all pertinent design functions, and to develop a detailed outline of a training course on the design process for launch vehicles for use in educating engineers whose experience with the process has been minimal. Building on a previously-developed partial design process description, parallel sections have been written for the Avionics Design Function, the Materials Design Function, and the Manufacturing Design Function. Upon inclusion of these results, the total process description will be released as a NASA TP. The design function sections herein include descriptions of the design function responsibilities, interfaces, interactive processes, decisions (gates), and tasks. Associated figures include design function planes, gates, and tasks, along with other pertinent graphics. Also included is an expanded discussion of how the design process is divided, or compartmentalized, into manageable parts to achieve efficient and effective design. A detailed outline for an intensive two-day course on the launch vehicle design process has been developed herein, and is available for further expansion. The course is in an interactive lecture/workshop format to engage the participants in active learning. The course addresses the breadth and depth of the process, requirements, phases, participants, multidisciplinary aspects, tasks, critical elements,as well as providing guidance from previous lessons learned. The participants are led to develop their own understanding of the current process and how it can be improved. Included are course objectives and a session-by-session outline of course content. Also included is an initial identification of visual aid requirements.

Atherton, James↗