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At least 973 records · Page 54

Hybrid interconnection structures for real-time parallel processing

The use of hybrid interconnection structures that combine link connections and bus connections for real-time parallel processing is discussed. Idealistic parallel computation models for two real-time computing applications are described with attention given to a tightly coupled network model for object tracking and a network model for image processing. Consideration is given to the following different interconnection structures: the crossbar, the hypercube, the circular linked array, and the bus array.

Kim, K. H.↗

MLP: A Parallel Programming Alternative to MPI for New Shared Memory Parallel Systems

Recent developments at the NASA AMES Research Center's NAS Division have demonstrated that the new generation of NUMA based Symmetric Multi-Processing systems (SMPs), such as the Silicon Graphics Origin 2000, can successfully execute legacy vector oriented CFD production codes at sustained rates far exceeding processing rates possible on dedicated 16 CPU Cray C90 systems. This high level of performance is achieved via shared memory based Multi-Level Parallelism (MLP). This programming approach, developed at NAS and outlined below, is distinct from the message passing paradigm of MPI. It offers parallelism at both the fine and coarse grained level, with communication latencies that are approximately 50-100 times lower than typical MPI implementations on the same platform. Such latency reductions offer the promise of performance scaling to very large CPU counts. The method draws on, but is also distinct from, the newly defined OpenMP specification, which uses compiler directives to support a limited subset of multi-level parallel operations. The NAS MLP method is general, and applicable to a large class of NASA CFD codes.

Taft, James R.↗

SHARED VIRTUAL ENVIRONMENTS FOR COLLECTIVE TRAINING

Historically NASA has trained teams of astronauts by bringing them to the Johnson Space Center in Houston to undergo generic training, followed by mission-specific training. This latter training begins after a crew has been selected for a mission (perhaps two years before the launch of that mission). While some Space Shuttle flights have included an astronaut from a foreign country, the International Space Station will be consistently crewed by teams comprised of astronauts from two or more of the partner nations. The cost of training these international teams continues to grow in both monetary and personal terms. Thus, NASA has been seeking alternative training approaches for the International Space Station program. Since 1994 we have been developing, testing, and refining shared virtual environments for astronaut team training, including the use of virtual environments for use while in or in transit to the task location. In parallel with this effort, we have also been preparing applications for training teams of military personnel engaged in peacekeeping missions. This paper will describe the applications developed to date, some of the technological challenges that have been overcome in their development, and the research performed to guide the development and to measure the efficacy of these shared environments as training tools.

Loftin, R. Bowen↗

Automatic Data Traffic Control on DSM Architecture

We study data traffic on distributed shared memory machines and conclude that data placement and grouping improve performance of scientific codes. We present several methods which user can employ to improve data traffic in his code. We report on implementation of a tool which detects the code fragments causing data congestions and advises user on improvements of data routing in these fragments. The capabilities of the tool include deduction of data alignment and affinity from the source code; detection of the code constructs having abnormally high cache or TLB misses; generation of data placement constructs. We demonstrate the capabilities of the tool on experiments with NAS parallel benchmarks and with a simple computational fluid dynamics application ARC3D.

Frumkin, Michael↗

Minimal Power Latch for Single-Slope ADCs

Column-parallel analog-to-digital converters (ADCs) for imagers involve simultaneous operation of many ADCs. Single-slope ADCs are well adapted to this use because of their simplicity. Each ADC contains a comparator, comparing its input signal level to an increasing reference signal (ramp). When the ramp is equal to the input, the comparator triggers a latch that captures an encoded counter value (code). Knowing the captured code, the ramp value and hence the input signal are determined. In a column-parallel ADC, each column contains only the comparator and the latches; the ramp and code generation are shared. In conventional latch or flip-flop circuits, there is an input stage that tracks the input signal, and this stage consumes switching current every time the input changes. With many columns, many bits, and high code rates, this switching current can be substantial. It will also generate noise that may corrupt the analog signals. A latch was designed that does not track the input, and consumes power only at the instant of latching the data value. The circuit consists of two S-R (set-reset) latches, gated by the comparator. One is set by high data values and the other by low data values. The latches are cross-coupled so that the first one to set blocks the other. In order that the input data not need an inversion, which would consume power, the two latches are made in complementary polarity. This requires complementary gates from the comparator, instead of complementary data values, but the comparator only triggers once per conversion, and usually has complementary outputs to begin with. An efficient CMOS (complementary metal oxide semiconductor) implementation of this circuit is shown in the figure, where C is the comparator output, D is the data (code), and Q0 and Q1 are the outputs indicating the capture of a zero or one value. The latch for Q0 has a negative-true set signal and output, and is implemented using OR-AND-INVERT logic, while the latch for Q1 uses positive- true signals and is implemented using AND-OR-INVERT logic. In this implementation, both latches are cleared when the comparator is reset. Two redundant transistors are removed from the reset side of each latch, making for a compact layout. CMOS imagers with column-parallel ADCs have demonstrated high performance for remote sensing applications. With this latch circuit, the power consumption and noise can be further reduced. This innovation can be used in CMOS imagers and very-low-power electronics

Hancock, Bruce R.↗

GridOPTICS/GridPACK

GridPACK is a software framework consisting of a set of modules designed to simplify the development of programs that model the power grid and run on parallel, high performance computing platforms. It also contains several fully developed applications, including powerflow, dynamic simulation, state estimation, Kalman filter analysis (dynamic state estimation), contingency analysis and real time path rating. These applications can be used either standalone or as components in more complicated workflows that combine several different types of application together. The framework modules are available as a combination of libraries and software templates and consist of components for setting up and distributing power grid networks, support for modeling the behavior of individual buses and branches in the network, converting the network models to the corresponding algebraic equations, and parallel routines for manipulating and solving large algebraic systems. The framework also contains a module for distributing tasks evenly amongst computing resources, even if individual tasks vary widely in their execution times. Additional modules support input and output, basic statistical analysis of contingency based calculations, distributed data structures, as well as basic profiling and error management.

Palmer, Bruce↗

RISC Processors and High Performance Computing

In this tutorial, we will discuss top five current RISC microprocessors: The IBM Power2, which is used in the IBM RS6000/590 workstation and in the IBM SP2 parallel supercomputer, the DEC Alpha, which is in the DEC Alpha workstation and in the Cray T3D; the MIPS R8000, which is used in the SGI Power Challenge; the HP PA-RISC 7100, which is used in the HP 700 series workstations and in the Convex Exemplar; and the Cray proprietary processor, which is used in the new Cray J916. The architecture of these microprocessors will first be presented. The effective performance of these processors will then be compared, both by citing standard benchmarks and also in the context of implementing a real applications. In the process, different programming models such as data parallel (CM Fortran and HPF) and message passing (PVM and MPI) will be introduced and compared. The latest NAS Parallel Benchmark (NPB) absolute performance and performance per dollar figures will be presented. The next generation of the NP13 will also be described. The tutorial will conclude with a discussion of general trends in the field of high performance computing, including likely future developments in hardware and software technology, and the relative roles of vector supercomputers tightly coupled parallel computers, and clusters of workstations. This tutorial will provide a unique cross-machine comparison not available elsewhere.

Saini, Subhash↗

A New Approach to Parallel Dynamic Partitioning for Adaptive Unstructured Meshes

Classical mesh partitioning algorithms were designed for rather static situations, and their straightforward application in a dynamical framework may lead to unsatisfactory results, e.g., excessive data migration among processors. Furthermore, special attention should be paid to their amenability to parallelization. In this paper, a novel parallel method for the dynamic partitioning of adaptive unstructured meshes is described. It is based on a linear representation of the mesh using self-avoiding walks.

Heber, Gerd↗

Approximate Green’s Function Coupled Cluster A Method Employing Effective Dimension Reduction

The Green’s function coupled cluster (GFCC) method, originally proposed in the early 1990s, is a powerful many-body tool for computing and analyzing the electronic structures of molecular structures and periodic systems, especially when electrons are strongly correlated. However, in order for the GFCC method to become an approach that can be routinely used in the electronic structure calculations, more robust linear algebraic techniques and approximations need to be employed to reduce its extremely high computational overhead. In our recent studies, we showed that the GFCC equation can be numerically solved by seeking solutions of multiple linear systems in the frequency regime of interest, which can be easily distributed in a massively parallel environment, and broaden the avenue for more state-of-the-art numerical linear algebraic tools associated with multiple linear systems to be kicked in to this field. In the present pursuit of this practice, we show a successful application of model order reduction (MOR) techniques in the GFCC framework. Briefly speaking, for a frequency regime of interest that requires a high resolution of spectral function, instead of solving GFCC linear equation in the original dimension for every single frequency point, an easily-solvable linear system model with reduced dimension can be built upon projecting the original GFCC linear system into a subspace, from which the interpolation and extrapolation can give a reasonable approximation to the results of the original GFCC linear equations. Here, we show that the subspace can be properly constructed in an iterative manner from the auxiliary vectors of the GFCC linear equations at some select frequencies inside the frequency regime. During the iterations, the quality of the subspace, as well as the linear system model, can be systematically improved. The approach is tested in this work in terms of the efficiency and accuracy of computing spectral functions for some typical molecular systems including carbon monoxide, 1,3-butadiene, benzene, and adenine molecules. As a byproduct, the high quality linear system model is also found to be able to provide high quality initial guess for the existing linear solver to improve the convergence performance.

Peng, Bo↗

Reduced-thickness backlighter for autostereoscopic display and display using the backlighter

A reduced-thickness backlighter for an autostereoscopic display is disclosed having a lightguide and at least one light source parallel to an edge of the lightguide so as to be substantially coplanar with the lightguide. The lightguide is provided with a first surface which has a plurality of reflective linear regions, such as elongated grooves or glossy lines, parallel to the illuminated edge of the lightguide. Preferably the lightguide further has a second surface which has a plurality of lenticular lenses for reimaging the reflected light from the linear regions into a series of thin vertical lines outside the guide. Because of the reduced thickness of the backlighter system, autostereoscopic viewing is enabled in applications requiring thin backlighter systems. In addition to taking up less space, the reduced-thickness backlighter uses less lamps and less power. For accommodating 2-D applications, a 2-D diffuser plate or a 2-D lightguide parallel to the 3-D backlighter is disclosed for switching back and forth between 3-D viewing and 2-D viewing.

Eichenlaub, Jesse B↗

Analysis of the Mutual Inductance between Two Parallel Plates for the Detection of Surface Flaws

There has recently been much effort behind the development of NDE methods applicable to the detection of surface/subsurface flaws in thin metallic structures with a rapid scan capability. One such method, an electromagnetic technique using a current-sheet parallel to the surface of a specimen in order to induce eddy current flow shows a high potential for satisfying the rapid scan requirement stated above. The technique is based on the detection of flaw-induced magnetic field components normal to the specimen surface by an appropriate detection mechanism positioned above the current-sheet as shown schematically in Fig. 1. As indicated in this figure, the current-sheet separates the source of the normal magnetic field components from the detector in such a way that the electric and magnetic properties of the current-sheet can be a major factor affecting the strength of the detected signals. The purpose of the present study is, therefore, to perform a detailed investigation on the effect of the material properties of the current-sheet on the detected signal strength and to establish a simple theoretical model for the detection mechanism.

Namking, M.↗

Performance Analysis of a Hybrid Overset Multi-Block Application on Multiple Architectures

This paper presents a detailed performance analysis of a multi-block overset grid compu- tational fluid dynamics app!ication on multiple state-of-the-art computer architectures. The application is implemented using a hybrid MPI+OpenMP programming paradigm that exploits both coarse and fine-grain parallelism; the former via MPI message passing and the latter via OpenMP directives. The hybrid model also extends the applicability of multi-block programs to large clusters of SNIP nodes by overcoming the restriction that the number of processors be less than the number of grid blocks. A key kernel of the application, namely the LU-SGS linear solver, had to be modified to enhance the performance of the hybrid approach on the target machines. Investigations were conducted on cacheless Cray SX6 vector processors, cache-based IBM Power3 and Power4 architectures, and single system image SGI Origin3000 platforms. Overall results for complex vortex dynamics simulations demonstrate that the SX6 achieves the highest performance and outperforms the RISC-based architectures; however, the best scaling performance was achieved on the Power3.

Djomehri, M. Jahed↗

TeraChem: A graphical processing unit-accelerated electronic structure package for large-scale ab initio molecular dynamics

TeraChem was born in 2008 with the goal of providing fast on-the-fly electronic structure calculations to facilitate ab initio molecular dynamics studies of large biochemical systems such as photoswitchable proteins and multichromophoric antenna complexes. Originally developed for videogaming applications, graphics processing units (GPUs) offered a low-cost parallel computer architecture that became more accessible for general-purpose GPU computing with the release of CUDA in 2007. The evaluation of the electron repulsion integrals (ERIs) is a major bottleneck in electronic structure codes and provides an attractive target for acceleration on GPUs. Thus, highly efficient routines for evaluation of and contractions between the ERIs and density matrices were implemented in TeraChem. Here, electronic structure methods were developed and implemented to leverage these integral contraction routines, resulting in the first quantum chemistry package designed from the ground up for GPUs. This GPU acceleration makes TeraChem capable of performing large-scale ground and excited state calculations in the gas and condensed phase. Today, TeraChem's speed forms the basis for a suite of quantum chemistry applications, including optimization and dynamics of proteins, automated and interactive chemical discovery tools, and large-scale nonadiabatic dynamics simulations.

74 ATOMIC AND MOLECULAR PHYSICS↗

Parallel streaming between heterogeneous HPC resources for real-time analysis

Performing analysis or generating visualizations concurrently with high performance simulations can yield great benefits compared to post-processing data. Writing and reading large volumes of data can be reduced or eliminated, thereby producing an I/O cost savings. One such method for concurrent simulation and analysis is in transit - streaming data from the resource running the simulation to a separate resource running the analysis. In transit analysis can be beneficial since computational resources may not have certain resources needed for visualization and analysis (e.g. GPUs) and to reduce the impact of performing analysis tasks to the run time of the simulation. When sending and receiving data in transit, data redistribution mechanisms are needed in order to support heterogeneous data layouts that may be required by the simulation and analysis applications. The work described in this paper compares two mechanisms for on-the-fly data redistribution when streaming data in parallel between two distributed memory applications. Finally, our results show that it is often more advantageous to stream data in the same layout as the sender and redistribute data amongst processes on the receiving end than to stream data in the final layout needed by the receiver.

97 MATHEMATICS AND COMPUTING↗

Merlin - Massively parallel heterogeneous computing

Hardware and software for Merlin, a new kind of massively parallel computing system, are described. Eight computers are linked as a 300-MIPS prototype to develop system software for a larger Merlin network with 16 to 64 nodes, totaling 600 to 3000 MIPS. These working prototypes help refine a mapped reflective memory technique that offers a new, very general way of linking many types of computer to form supercomputers. Processors share data selectively and rapidly on a word-by-word basis. Fast firmware virtual circuits are reconfigured to match topological needs of individual application programs. Merlin's low-latency memory-sharing interfaces solve many problems in the design of high-performance computing systems. The Merlin prototypes are intended to run parallel programs for scientific applications and to determine hardware and software needs for a future Teraflops Merlin network.

Wittie, Larry↗

Parallel algorithm for dominant points correspondences in robot binocular stereo vision

This paper presents an algorithm to find the correspondences of points representing dominant feature in robot stereo vision. The algorithm consists of two main steps: dominant point extraction and dominant point matching. In the feature extraction phase, the algorithm utilizes the widely used Moravec Interest Operator and two other operators: the Prewitt Operator and a new operator called Gradient Angle Variance Operator. The Interest Operator in the Moravec algorithm was used to exclude featureless areas and simple edges which are oriented in the vertical, horizontal, and two diagonals. It was incorrectly detecting points on edges which are not on the four main directions (vertical, horizontal, and two diagonals). The new algorithm uses the Prewitt operator to exclude featureless areas, so that the Interest Operator is applied only on the edges to exclude simple edges and to leave interesting points. This modification speeds-up the extraction process by approximately 5 times. The Gradient Angle Variance (GAV), an operator which calculates the variance of the gradient angle in a window around the point under concern, is then applied on the interesting points to exclude the redundant ones and leave the actual dominant ones. The matching phase is performed after the extraction of the dominant points in both stereo images. The matching starts with dominant points in the left image and does a local search, looking for corresponding dominant points in the right image. The search is geometrically constrained the epipolar line of the parallel-axes stereo geometry and the maximum disparity of the application environment. If one dominant point in the right image lies in the search areas, then it is the corresponding point of the reference dominant point in the left image. A parameter provided by the GAV is thresholded and used as a rough similarity measure to select the corresponding dominant point if there is more than one point the search area. The correlation is used as a final decision tool when there is still more than one point in the search area. If there is no dominant point in the search area of if the points in the search area are below a correlation threshold, then the dominant point in the reference image is occluded and can not be corresponded. The algorithm has been modeled, implemented and shown to be fast, robust and parallel. The parallelism is created from three main features: locality of the operators; a memory optimization scheme; and the ability to fully parallelize the extraction phase which is the most computational intensive task in the algorithm. The last feature is achieved by performing the extraction phase on the two images simultaneously.

Al-Tammami, A.↗

Fragme∩t: An Open‐Source Framework for Multiscale Quantum Chemistry Based on Fragmentation

Fragment-based quantum chemistry offers a means to circumvent the nonlinear computational scaling of conventional electronic structure calculations, by partitioning a large calculation into smaller subsystems then considering the many-body interactions between them. Variants of this approach have been used to parameterize classical force fields and machine learning potentials, applications that benefit from interoperability between quantum chemistry codes. However, there is a dearth of software that provides interoperability yet is purpose-built to handle the combinatorial complexity of fragment-based calculations. To fill this void we introduce “Fragme∩t”, an open-source software application that provides a tool for community validation of fragment-based methods, a platform for developing new approximations, and a framework for analyzing many-body interactions. Fragme∩t includes algorithms for automatic fragment generation and structure modification, and for distance- and energy-based screening of the requisite subsystems. Checkpointing, database management, and parallelization are handled internally and results are archived in a portable database. Interfaces to various quantum chemistry engines are easy to write and exist already for Q-Chem, PySCF, xTB, Orca, CP2K, MRCC, Psi4, NWChem, GAMESS, and MOPAC. Applications reported here demonstrate parallel efficiencies around 96% on more than 1000 processors but also showcase that the code can handle large-scale protein fragmentation using only workstation hardware, all with a codebase that is designed to be usable by non-experts. Fragme∩t conforms to modern software engineering best practices and is built upon well established technologies including Python, SQLite, and Ray. The source code is available under the Apache 2.0 license.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗