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NAS Grid Benchmarks

We provide a paper-and-pencil specification of a benchmark suite for computational grids. It is based on the NAS (NASA Advanced Supercomputing) Parallel Benchmarks (NPB) and is called the NAS Grid Benchmarks (NGB). NGB problems are presented as data flow graphs encapsulating an instance of a slightly modified NPB task in each graph node, which communicates with other nodes by sending/receiving initialization data. Like NPB, NGB specifies several different classes (problem sizes). In this report we describe classes S, W, and A, and provide verification values for each. The implementor has the freedom to choose any language, grid environment, security model, fault tolerance/error correction mechanism, etc., as long as the resulting implementation passes the verification test and reports the turnaround time of the benchmark.

VanderWijngaart, Rob

Experiences Using OpenMP Based on Compiler Directed Software DSM on a PC Cluster

In this work we report on our experiences running OpenMP (message passing) programs on a commodity cluster of PCs (personal computers) running a software distributed shared memory (DSM) system. We describe our test environment and report on the performance of a subset of the NAS (NASA Advanced Supercomputing) Parallel Benchmarks that have been automatically parallelized for OpenMP. We compare the performance of the OpenMP implementations with that of their message passing counterparts and discuss performance differences.

Hess, Matthias

Research in Computational Astrobiology

We present results from several projects in the new field of computational astrobiology, which is devoted to advancing our understanding of the origin, evolution and distribution of life in the Universe using theoretical and computational tools. We have developed a procedure for calculating long-range effects in molecular dynamics using a plane wave expansion of the electrostatic potential. This method is expected to be highly efficient for simulating biological systems on massively parallel supercomputers. We have perform genomics analysis on a family of actin binding proteins. We have performed quantum mechanical calculations on carbon nanotubes and nucleic acids, which simulations will allow us to investigate possible sources of organic material on the early earth. Finally, we have developed a model of protobiological chemistry using neural networks.

Chaban, Galina

Scalability of a Low-Cost Multi-Teraflop Linux Cluster for High-End Classical Atomistic and Quantum Mechanical Simulations

Scalability of a low-cost, Intel Xeon-based, multi-Teraflop Linux cluster is tested for two high-end scientific applications: Classical atomistic simulation based on the molecular dynamics method and quantum mechanical calculation based on the density functional theory. These scalable parallel applications use space-time multiresolution algorithms and feature computational-space decomposition, wavelet-based adaptive load balancing, and spacefilling-curve-based data compression for scalable I/O. Comparative performance tests are performed on a 1,024-processor Linux cluster and a conventional higher-end parallel supercomputer, 1,184-processor IBM SP4. The results show that the performance of the Linux cluster is comparable to that of the SP4. We also study various effects, such as the sharing of memory and L2 cache among processors, on the performance.

Kikuchi, Hideaki

Parametric Powered-Lift Navier-Stokes Computations

The goal of this work is to enable the computation of large numbers of unsteady high-fidelity flow simulations for a YAV-8B Harrier aircraft in ground effect by improving the solution process and taking advantage of NASA parallel supercomputers. The YAV-8B Harrier aircraft can take off and land vertically, or utilize short runways by directing its four exhaust nozzles toward the ground. Transition to forward flight is achieved by rotating these nozzles into a horizontal position.

Chaderjian, Neal M.

3-D Deformable Grid Electomagnetic PIC for Parallel Computers

We have developed a three-dimensional non-orthogonal grid electromagnetic PIC code for parallel supercomputers. The numerical formulation is based on hexahedral cells which are logically connected cubic cells but distorted to body-fit complex geometries in physical space. An outstanding area of research is to improve the accuracy of the electromagnetic field solve on distorted meshes.

3D deformable non-orthogonal grid code PIC codes p

Parallelization and Algorithmic Enhancements of High Resolution IRAS Image Construction

The Infrared Astronomical Satellite caried out a nearly complete survey of the infrared sky, and the survey data are important for the study of many astrophysical phenomena. However, many data sets at other wavelengths have higher resolutions than that of the co-added IRAS maps, and high resolution IRAS images are strongly desired both for their own information content and their usefulness in correlation. The HIRES program was developed by the Infrared Processing and Analysis Center (IPAC) to produce high resolution (approx. 1') images from IRAS data using the Maximum Correlation Method (MCM). We describe the port of HIRES to the Intel Paragon, a massively parallel supercomputer, other software developments for mass production of HIRES images, and the IRAS Galaxy Atlas, a project to map the Galactic plane at 60 and 100(micro)m.

Satellite infrared IRAS IRAS maps IRAS images

The Production of Jets From Magnetized Accretion Disks: Simulation of the Blandford-Payne Mechanism

We have used massively parallel supercomputer simulations to perform an extensive study of a plausible mechanism for producing the jets seen in extragalactic radio sources - acceleration and collimation by coronal magnetic fields in an accretion disk orbiting a central black hole. We find that such disks can propel jets for a wide range of coronal conditions. The terminal jet velocity is a strong function of the magnetic field equatorial component. Acceleration and collimation are produced by a tight azimuthal field coil generated in the corona, rather than by a stiff poloidal field extending to large distances. The jets are pressure-confined when the external medium pressure is high, but magnetically- confined when it is low.

Blandford-Payne Mechanism

(abstract) Automated Constraint Checking of Spacecraft Command Sequences

Making certain that spacecraft command sequences do not violate any constraints is often tedious and expensive in terms of both personnel and software development. To reduce this cost, we have pursued the development of a flexible system for specifying models of spacecraft behavior in response to commands as well as constraints on that behavior. The potential need for modeling complex spacecraft behavior required that the system be designed to be usable both on a conventional workstation and a parallel supercomputer. Finally, it needed to be intuitive enough for the the intended mission operations users to easily design sets of rules and models to automate tedious, resource-consuming constraint checking of commands. We have defined a Specification And Verification Environment (SAVE) for spacecraft flight rules.

automation spacecraft command sequences constraint

Accessing and visualizing scientific spatiotemporal data

This paper discusses work done by JPL's Parallel Applications Technologies Group in helping scientists access and visualize very large data sets through the use of multiple computing resources, such as parallel supercomputers, clusters, and grids.

rendering

Accessing and Visualizing scientific spatiotemporal data

This paper discusses work done by JPL 's Parallel Applications Technologies Group in helping scientists access and visualize very large data sets through the use of multiple computing resources, such as parallel supercomputers, clusters, and grids These tools do one or more of the following tasks visualize local data sets for local users, visualize local data sets for remote users, and access and visualize remote data sets The tools are used for various types of data, including remotely sensed image data, digital elevation models, astronomical surveys, etc The paper attempts to pull some common elements out of these tools that may be useful for others who have to work with similarly large data sets.

data sets

Time-Accurate Local Time Stepping and High-Order Time CESE Methods for Multi-Dimensional Flows Using Unstructured Meshes

With the wide availability of affordable multiple-core parallel supercomputers, next generation numerical simulations of flow physics are being focused on unsteady computations for problems involving multiple time scales and multiple physics. These simulations require higher solution accuracy than most algorithms and computational fluid dynamics codes currently available. This paper focuses on the developmental effort for high-fidelity multi-dimensional, unstructured-mesh flow solvers using the space-time conservation element, solution element (CESE) framework. Two approaches have been investigated in this research in order to provide high-accuracy, cross-cutting numerical simulations for a variety of flow regimes: 1) time-accurate local time stepping and 2) highorder CESE method. The first approach utilizes consistent numerical formulations in the space-time flux integration to preserve temporal conservation across the cells with different marching time steps. Such approach relieves the stringent time step constraint associated with the smallest time step in the computational domain while preserving temporal accuracy for all the cells. For flows involving multiple scales, both numerical accuracy and efficiency can be significantly enhanced. The second approach extends the current CESE solver to higher-order accuracy. Unlike other existing explicit high-order methods for unstructured meshes, the CESE framework maintains a CFL condition of one for arbitrarily high-order formulations while retaining the same compact stencil as its second-order counterpart. For large-scale unsteady computations, this feature substantially enhances numerical efficiency. Numerical formulations and validations using benchmark problems are discussed in this paper along with realistic examples.

Chang, Chau-Lyan

Terminal Area Simulation System User's Guide - Version 10.0

The Terminal Area Simulation System (TASS) is a three-dimensional, time-dependent, large eddy simulation model that has been developed for studies of wake vortex and weather hazards to aviation, along with other atmospheric turbulence, and cloud-scale weather phenomenology. This document describes the source code for TASS version 10.0 and provides users with needed documentation to run the model. The source code is programed in Fortran language and is formulated to take advantage of vector and efficient multi-processor scaling for execution on massively-parallel supercomputer clusters. The code contains different initialization modules allowing the study of aircraft wake vortex interaction with the atmosphere and ground, atmospheric turbulence, atmospheric boundary layers, precipitating convective clouds, hail storms, gust fronts, microburst windshear, supercell and mesoscale convective systems, tornadic storms, and ring vortices. The model is able to operate in either two- or three-dimensions with equations numerically formulated on a Cartesian grid. The primary output from the TASS is time-dependent domain fields generated by the prognostic equations and diagnosed variables. This document will enable a user to understand the general logic of TASS, and will show how to configure and initialize the model domain. Also described are the formats of the input and output files, as well as the parameters that control the input and output.

Switzer, George F.

DSMC simulation of ionized rarefied flows

Recently a renewed interest has been exhibited in understanding contamination and space environmental effect in the LEO range of 200 to 600 km as well as in low density microelectronics manufacturing technologies. Realistic simulations must model the physics of the highly coupled effects of neutral and charged particle flows, thermodynamic nonequilibrium, surface charging, and electromagnetic field effects. The computational requirements are enormous for this level of modeling and are almost impossible on current single processor supercomputers. An effort was initiated to develop this capability on a massively parallel MIMD supercomputers. The Wake Shield Facility experiment will be used for test case calculations. Preliminary results indicate that parallel supercomputers may be the only computers capable of simulating the required level of physics and spatial resolution. Calculations which contain from 1 to 8 million simulation particles are presented.

Bartel, Timothy J.

A parallel-vector equation solver for unsymmetric matrices on supercomputers

A parallel-vector unsymmetric equation solver is presented. The solver exploits both vector and parallel capabilities provided by modern, high-performance supercomputers. A special storage scheme and loop-unrolling technique are used to optimize the vector performance. A parallel FORTRAN language is used to develop the solver on the CRAY 2 and CRAY Y-MP multiple processing computer environment. Three numerical examples are presented which demonstrate the efficiency and accuracy of this equation solver. The first two examples demonstrate the improved performance, and the third example utilizes the proposed solver to solve a highly nonlinear, unsymmetric finite element formulation for panel flutter.

Qin, J.

Supercomputing on massively parallel bit-serial architectures

Research on the Goodyear Massively Parallel Processor (MPP) suggests that high-level parallel languages are practical and can be designed with powerful new semantics that allow algorithms to be efficiently mapped to the real machines. For the MPP these semantics include parallel/associative array selection for both dense and sparse matrices, variable precision arithmetic to trade accuracy for speed, micro-pipelined train broadcast, and conditional branching at the processing element (PE) control unit level. The preliminary design of a FORTRAN-like parallel language for the MPP has been completed and is being used to write programs to perform sparse matrix array selection, min/max search, matrix multiplication, Gaussian elimination on single bit arrays and other generic algorithms. A description is given of the MPP design. Features of the system and its operation are illustrated in the form of charts and diagrams.

Iobst, Ken

Iterative methods for large scale static analysis of structures on a scalable multiprocessor supercomputer

A parallel Preconditioned Conjugate Gradient (PCG) iterative solver has been developed and implemented on the iPSC-860 scalable hypercube. This new implementation makes use of the Parallel Automated Runtime Toolkit at ICASE (PARTI) primitives to efficiently program irregular communications patterns that exist in general sparse matrices and in particular in the finite element sparse stiffness matrices. The iterative PCG has been used to solve the finite element equations that result from discretizing large scale aerospace structures. In particular, the static response of the High Speed Civil Transport (HSCT) finite element model is solved on the iPSC-860.

Sobh, Nahil Atef