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At least 1,603 records · Page 89

Application of the hypercube parallel processor to a large-scale moment method code

The applicability of a parallel computing architecture to the solution of a large-scale moment-method code is investigated. Specifically, the NEC (Numerical Electromagnetics Code) method-of-moments scattering program is implemented on a hypercube parallel processor. The accuracy and the increase in the speed of execution on this parallel architecture are demonstrated. The results show a very large reduction in execution time for large problems. The great potential of this parallel processor is shown for interactive solution of large NEC problems as well as other moment-method techniques such as the finite-element method.

Manshadi, Farzin↗

Calculation of Weibull strength parameters, Batdorf flaw density constants and related statistical quantities using PC-CARES

This manual describes the operation and theory of the PC-CARES (Personal Computer-Ceramic Analysis and Reliability Evaluation of Structures) computer program for the IBM PC and compatibles running PC-DOS/MS-DOR OR IBM/MS-OS/2 (version 1.1 or higher) operating systems. The primary purpose of this code is to estimate Weibull material strength parameters, the Batdorf crack density coefficient, and other related statistical quantities. Included in the manual is the description of the calculation of shape and scale parameters of the two-parameter Weibull distribution using the least-squares analysis and maximum likelihood methods for volume- and surface-flaw-induced fracture in ceramics with complete and censored samples. The methods for detecting outliers and for calculating the Kolmogorov-Smirnov and the Anderson-Darling goodness-of-fit statistics and 90 percent confidence bands about the Weibull line, as well as the techniques for calculating the Batdorf flaw-density constants are also described.

Szatmary, Steven A.↗

An installed nacelle design code using a multiblock Euler solver. Volume 1: Theory document

An efficient multiblock Euler design code was developed for designing a nacelle installed on geometrically complex airplane configurations. This approach employed a design driver based on a direct iterative surface curvature method developed at LaRC. A general multiblock Euler flow solver was used for computing flow around complex geometries. The flow solver used a finite-volume formulation with explicit time-stepping to solve the Euler Equations. It used a multiblock version of the multigrid method to accelerate the convergence of the calculations. The design driver successively updated the surface geometry to reduce the difference between the computed and target pressure distributions. In the flow solver, the change in surface geometry was simulated by applying surface transpiration boundary conditions to avoid repeated grid generation during design iterations. Smoothness of the designed surface was ensured by alternate application of streamwise and circumferential smoothings. The capability and efficiency of the code was demonstrated through the design of both an isolated nacelle and an installed nacelle at various flow conditions. Information on the execution of the computer program is provided in volume 2.

Chen, H. C.↗

Integrated numerical methods for hypersonic aircraft cooling systems analysis

Numerical methods have been developed for the analysis of hypersonic aircraft cooling systems. A general purpose finite difference thermal analysis code is used to determine areas which must be cooled. Complex cooling networks of series and parallel flow can be analyzed using a finite difference computer program. Both internal fluid flow and heat transfer are analyzed, because increased heat flow causes a decrease in the flow of the coolant. The steady state solution is a successive point iterative method. The transient analysis uses implicit forward-backward differencing. Several examples of the use of the program in studies of hypersonic aircraft and rockets are provided.

Petley, Dennis H.↗

Desktop Application Program to Simulate Cargo-Air-Drop Tests

The DSS Application is a computer program comprising a Windows version of the UNIX-based Decelerator System Simulation (DSS) coupled with an Excel front end. The DSS is an executable code that simulates the dynamics of airdropped cargo from first motion in an aircraft through landing. The bare DSS is difficult to use; the front end makes it easy to use. All inputs to the DSS, control of execution of the DSS, and postprocessing and plotting of outputs are handled in the front end. The front end is graphics-intensive. The Excel software provides the graphical elements without need for additional programming. Categories of input parameters are divided into separate tabbed windows. Pop-up comments describe each parameter. An error-checking software component evaluates combinations of parameters and alerts the user if an error results. Case files can be created from inputs, making it possible to build cases from previous ones. Simulation output is plotted in 16 charts displayed on a separate worksheet, enabling plotting of multiple DSS cases with flight-test data. Variables assigned to each plot can be changed. Selected input parameters can be edited from the plot sheet for quick sensitivity studies.

Cuthbert, Peter↗

Computing Plasma Interactions Of A Spacecraft

NASCAP/LEO (NASA Spacecraft Charging Analyzer Program for Low Earth Orbit) implements collection of mathematical models and algorithms designed to study electrostatic interaction between cold, dense plasma and spacecraft surfaces. Computes variety of electrostatic, plasma, and flow effects. Appropriate for conditions in which temperature of plasma small in comparison with spacecraft-generated potentials and Debye screening length short in comparison with dimensions of spacecraft. Related NASCAP/GEO (LEW-12973) code (NASA Charging Analyzer Program for Geosynchronous Orbit, denoted as NASCAP) appropriate for conditions which spacecraft differential potentials result from interactions with hot plasma and Debye screening length larger than dimensions of spacecraft. Object-definition portion of NASCAP/GEO code provided as part of package. NASCAP/LEO written in FORTRAN 77 and C language.

Mandell, M. J.↗

Multidisciplinary High-Fidelity Analysis and Optimization of Aerospace Vehicles: Preliminary Results - Part 2

An objective of the High Performance Computing and Communication Program at the NASA Langley Research Center is to demonstrate multidisciplinary shape and sizing optimization of a complete aerospace vehicle configuration by using high-fidelity finite-element structural analysis and computational fluid dynamics aerodynamic analysis in a distributed, heterogeneous computing environment that includes high performance parallel computing. A software system has been designed and implemented to integrate a set of existing discipline analysis codes, some of them computationally intensive, into a distributed computational environment for the design of a high-speed civil transport configuration. The paper describes both the preliminary results from implementing and validating the multidisciplinary analysis and the results from an aerodynamic optimization. The discipline codes are integrated by using the Java programming language and a Common Object Request Broker Architecture compliant software product. A companion paper describes the formulation of the multidisciplinary analysis and optimization system.

Walsh, J. L.↗

CDAC Student Report: Summary of LLNL Internship

Multiple objectives motivated me to apply for an internship at LLNL: I wanted to experience the work environment at a national lab, to learn about research and job opportunities at LLNL in particular, and to gain greater experience with code development, particularly within the realm of high performance computing (HPC). This summer I was selected to participate in LLNL's Computational Chemistry and Material Science Summer Institute (CCMS). CCMS is a 10 week program hosted by the Quantum Simulations group leader, Dr. Eric Schwegler. CCMS connects graduate students to mentors at LLNL involved in similar re- search and provides weekly seminars on a broad array of topics from within chemistry and materials science. Dr. Xavier Andrade and Dr. Erik Draeger served as my co-mentors over the summer, and Dr. Andrade continues to mentor me now that CCMS has concluded. Dr. Andrade is a member of the Quantum Simulations group within the Physical and Life Sciences at LLNL, and Dr. Draeger leads the HPC group within the Center for Applied Scientific Computing (CASC). The two have worked together to develop Qb@ll, an open-source first principles molecular dynamics code that was the platform for my summer research project.

36 MATERIALS SCIENCE↗

Pressure Ratio to Thermal Environments

A pressure ratio to thermal environments (PRatTlE.pl) program is a Perl language code that estimates heating at requested body point locations by scaling the heating at a reference location times a pressure ratio factor. The pressure ratio factor is the ratio of the local pressure at the reference point and the requested point from CFD (computational fluid dynamics) solutions. This innovation provides pressure ratio-based thermal environments in an automated and traceable method. Previously, the pressure ratio methodology was implemented via a Microsoft Excel spreadsheet and macro scripts. PRatTlE is able to calculate heating environments for 150 body points in less than two minutes. PRatTlE is coded in Perl programming language, is command-line-driven, and has been successfully executed on both the HP and Linux platforms. It supports multiple concurrent runs. PRatTlE contains error trapping and input file format verification, which allows clear visibility into the input data structure and intermediate calculations.

Lopez, Pedro↗

A Hartree-Fock Application Using UPC++ and the New DArray Library

The Hartree-Fock (HF) method is the fundamental first step for incorporating quantum mechanics into many-electron simulations of atoms and molecules, and it is an important component of computational chemistry toolkits like NWChem. The GTFock code is an HF implementation that, while it does not have all the features in NWChem, represents crucial algorithmic advances that reduce communication and improve load balance by doing an up-front static partitioning of tasks, followed by work stealing whenever necessary. To enable innovations in algorithms and exploit next generation exascale systems, it is crucial to support quantum chemistry codes using expressive and convenient programming models and runtime systems that are also efficient and scalable. Here, this paper presents an HF implementation similar to GTFock using UPC++, a partitioned global address space model that includes flexible communication, asynchronous remote computation, and a powerful multidimensional array library. UPC++ offers runtime features that are useful for HF such as active messages, a rich calculus for array operations, hardware-supported fetch-and-add, and functions for ensuring asynchronous runtime progress. We present a new distributed array abstraction, DArray, that is convenient for the kinds of random-access array updates and linear algebra operations on block-distributed arrays with irregular data ownership. Finally, we analyze the performance of atomic fetch-and-add operations (relevant for load balancing) and runtime attentiveness, then compare various techniques and optimizations for each. Our optimized implementation of HF using UPC++ and the DArrays library shows up to 20% improvement over GTFock with Global Arrays at scales up to 24,000 cores.

97 MATHEMATICS AND COMPUTING↗

GPU Acceleration of Volume Fraction and Centroid Computation from General Shapes on Unstructured Mesh

One important requirement for coupling multi-physics models is a means to remap fields between meshes in an accurate and conservative manner. Since the remapping algorithm is embarrassingly parallel, this motivates the use of Graphical Processing Units (GPU) for such routine. However, since our remapping code, portage, is fairly complex, we explore the use of GPUs through a simpler problem of generating material’s volume fraction and centroid inside each cell of the mesh. We use the same programming structure that is used in portage, namely, on-node parallelism via NVIDIA’s thrust library. Using a similar programming structure enables us to draw lessons from this study that can be applied to the more complex problem. We have found that while the speed-up is pronounced (10-100 times), significant effort is required to re-factor the code so that thrust can be used with a CUDA backend. Moreover, thrust takes away the fine grain control that vanilla CUDA programming gives us.

97 MATHEMATICS AND COMPUTING↗

Imaging Sensor Flight and Test Equipment Software

The Lightning Imaging Sensor (LIS) is one of the components onboard the Tropical Rainfall Measuring Mission (TRMM) satellite, and was designed to detect and locate lightning over the tropics. The LIS flight code was developed to run on a single onboard digital signal processor, and has operated the LIS instrument since 1997 when the TRMM satellite was launched. The software provides controller functions to the LIS Real-Time Event Processor (RTEP) and onboard heaters, collects the lightning event data from the RTEP, compresses and formats the data for downlink to the satellite, collects housekeeping data and formats the data for downlink to the satellite, provides command processing and interface to the spacecraft communications and data bus, and provides watchdog functions for error detection. The Special Test Equipment (STE) software was designed to operate specific test equipment used to support the LIS hardware through development, calibration, qualification, and integration with the TRMM spacecraft. The STE software provides the capability to control instrument activation, commanding (including both data formatting and user interfacing), data collection, decompression, and display and image simulation. The LIS STE code was developed for the DOS operating system in the C programming language. Because of the many unique data formats implemented by the flight instrument, the STE software was required to comprehend the same formats, and translate them for the test operator. The hardware interfaces to the LIS instrument using both commercial and custom computer boards, requiring that the STE code integrate this variety into a working system. In addition, the requirement to provide RTEP test capability dictated the need to provide simulations of background image data with short-duration lightning transients superimposed. This led to the development of unique code used to control the location, intensity, and variation above background for simulated lightning strikes at user-selected locations.

Freestone, Kathleen↗

SciPy 1.0: fundamental algorithms for scientific computing in Python

SciPy is an open-source scientific computing library for the Python programming language. Since its initial release in 2001, SciPy has become a de facto standard for leveraging scientific algorithms in Python, with over 600 unique code contributors, thousands of dependent packages, over 100,000 dependent repositories and millions of downloads per year. In this work, we provide an overview of the capabilities and development practices of SciPy 1.0 and highlight some recent technical developments.

97 MATHEMATICS AND COMPUTING↗

2014 HPC Annual Report

Our commitment is to support you through delivery of an IT environment that provides mission value by transforming the way you use, protect, and access information. We approach this through technical innovation, risk management, and relationships with our workforce, Laboratories leadership, and policy makers nationwide. This second edition of our HPC Annual Report continues our commitment to communicate the details and impact of Sandia’s large-scale computing resources that support the programs associated with our diverse mission areas. A key tenet to our approach is to work with our mission partners to understand and anticipate their requirements and formulate an investment strategy that is aligned with those Laboratories priorities. In doing this, our investments include not only expanding the resources available for scientific computing and modeling and simulation, but also acquiring large-scale systems for data analytics, cloud computing, and Emulytics. We are also investigating new computer architectures in our advanced systems test bed to guide future platform designs and prepare for changes in our code development models. Our initial investments in large-scale institutional platforms that are optimized for Informatics and Emulytics work are serving a diverse customer base. We anticipate continued growth and expansion of these resources in the coming years as the use of these analytic techniques expands across our mission space. If your program could benefit from an investment in innovative systems, please work through your Program Management Unit ’s Mission Computing Council representatives to engage our teams.

97 MATHEMATICS AND COMPUTING↗

Sierra Toolkit Manual Version 4.48

This report provides documentation for the SIERRA Toolkit (STK) modules. STK modules are intended to provide infrastructure that assists the development of computational engineering software such as finite-element analysis applications. STK includes modules for unstructured-mesh data structures, reading/writing mesh files, geometric proximity search, and various utilities. This document contains a chapter for each module, and each chapter contains overview descriptions and usage examples. Usage examples are primarily code listings which are generated from working test programs that are included in the STK code-base. A goal of this approach is to ensure that the usage examples will not fall out of date. This page intentionally left blank.

97 MATHEMATICS AND COMPUTING↗

Extracting SIMD Parallelism from Recursive Task-Parallel Programs

The pursuit of computational efficiency has led to the proliferation of throughput-oriented hardware, from GPUs to increasingly wide vector units on commodity processors and accelerators. This hardware is designed to efficiently execute data-parallel computations in a vectorized manner. However, many algorithms are more naturally expressed as divide-and-conquer, recursive, task-parallel computations. In the absence of data parallelism, it seems that such algorithms are not well suited to throughput-oriented architectures. This paper presents a set of novel code transformations that expose the data parallelism latent in recursive, task- parallel programs. These transformations facilitate straightforward vectorization of task-parallel programs on commodity hardware. We also present scheduling policies that maintain high utilization of vector resources while limiting space usage. Across several task-parallel benchmarks, we demonstrate both efficient vector resource utilization and substantial speedup on chips using Intel’s SSE4.2 vector units, as well as accelerators using Intel’s AVX512 units. We then show through rigorous sampling that, in practice, our vectorization techniques are effective for a much larger class of programs.

Recursive Programs, task parallelism, vectorizatio↗

Trinity Supercomputer Now Fully Operational

Now one of the fastest supercomputers in the United States, the Trinity Supercomputer Phase II project was completed during the summer of 2017, and the computer became fully operational during an unclassified “open science” run. The computer has now transitioned to classified mode. The Trinity supercomputer is designed to provide increased computational capability for the NNSA Nuclear Security Enterprise in support of increasing geometric and physics fidelities in nuclear weapons simulation codes, while maintaining expectations for total time to solution. The capabilities of Trinity are required for supporting the NNSA Stockpile Stewardship program’s certification and assessments to ensure that the nation’s nuclear stockpile is safe, secure and effective. With an expected operational lifetime through 2020, Trinity is an approximately 41.5 petaflop (41.5 million billion calculations per second, peak performance) supercomputer based on the Cray XC40 architecture. It consists of 19,420 compute nodes utilizing two processor architectures, Intel Xeon Haswell and Intel Xeon Phi Knights Landing. It is a water-cooled system with a power requirement of about 10 megawatts. The Trinity project is managed and operated by Los Alamos National Laboratory and Sandia National Laboratories under the Alliance for Computing at Extreme Scale (ACES) partnership. The system is located at the Nicholas Metropolis Center for Modeling and Simulation at Los Alamos and covers approximately 5,200 square feet of floor space.

97 MATHEMATICS AND COMPUTING↗

CELCAP: A Computer Model for Cogeneration System Analysis

A description of the CELCAP cogeneration analysis program is presented. A detailed description of the methodology used by the Naval Civil Engineering Laboratory in developing the CELCAP code and the procedures for analyzing cogeneration systems for a given user are given. The four engines modeled in CELCAP are: gas turbine with exhaust heat boiler, diesel engine with waste heat boiler, single automatic-extraction steam turbine, and back-pressure steam turbine. Both the design point and part-load performances are taken into account in the engine models. The load model describes how the hourly electric and steam demand of the user is represented by 24 hourly profiles. The economic model describes how the annual and life-cycle operating costs that include the costs of fuel, purchased electricity, and operation and maintenance of engines and boilers are calculated. The CELCAP code structure and principal functions of the code are described to how the various components of the code are related to each other. Three examples of the application of the CELCAP code are given to illustrate the versatility of the code. The examples shown represent cases of system selection, system modification, and system optimization.

Source record↗