Publications

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This report documents the outcome from the ASC ATDM Level 2 Milestone 6358: Assess Status of Next Generation Components and Physics Models in EMPIRE. This Milestone is an assessment of the EMPIRE (ElectroMagnetic Plasma In Realistic Environments) application and three software components. The assessment focuses on the electromagnetic and electrostatic particle-in-cell solutions for EMPIRE and its associated solver, time integration, and checkpoint-restart components. This information provides a clear understanding of the current status of the EMPIRE application and will help to guide future work in FY19 in order to ready the application for the ASC ATDM L1 Milestone in FY20. It is clear from this assessment that performance of the linear solver will have to be a focus in FY19.

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This report is an outcome of the ASC ATDM Level 2 Milestone 6015: Asynchronous Many-Task Software Stack Demonstration. It comprises a summary and in depth analysis of DARMA and a DARMA-compliant Asynchronous Many-Task (AMT) runtime software stack. Herein performance and productivity of the over- all approach are assessed on benchmarks and proxy applications representative of the Sandia ATDM applications. As part of the effort to assess the perceived strengths and weaknesses of AMT models compared to more traditional methods, experiments were performed on ATS-1 (Advanced Technology Systems) test bed machines and Trinity. In addition to productivity and performance assessments, this report includes findings on the generality of DARMAs backend API as well as findings on interoperability with node- level and network-level system libraries. Together, this information provides a clear understanding of the strengths and limitations of the DARMA approach in the context of Sandias ATDM codes, to guide our future research and development in this area.

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The final review for the FY16 ASC Computational Systems and Software Environment (CSSE) L2 Milestone #5676 was conducted on August 17, 2016 at Sandia National Laboratories in Albuquerque, New Mexico. The review panel unanimously agreed that the milestone has been successfully completed

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This paper describes an approach that seeks to parallelize the spatial search associated with computational contact mechanics. In contact mechanics, the purpose of the spatial search is to find “nearest neighbors,” which is the prelude to an imprinting search that resolves the interactions between the external surfaces of contacting bodies. In particular, we are interested in the contact global search portion of the spatial search associated with this operation on domain-decomposition-based meshes. Specifically, we describe an implementation that combines standard domain-decomposition-based MPI-parallel spatial search with thread-level parallelism (MPI-X) available on advanced computer architectures (those with GPU coprocessors). Our goal is to demonstrate the efficacy of the MPI-X paradigm in the overall contact search. Standard MPI-parallel implementations typically use a domain decomposition of the external surfaces of bodies within the domain in an attempt to efficiently distribute computational work. This decomposition may or may not be the same as the volume decomposition associated with the host physics. The parallel contact global search phase is then employed to find and distribute surface entities (nodes and faces) that are needed to compute contact constraints between entities owned by different MPI ranks without further inter-rank communication. Key steps of the contact global search include computing bounding boxes, building surface entity (node and face) search trees and finding and distributing entities required to complete on-rank (local) spatial searches. To enable source-code portability and performance across a variety of different computer architectures, we implemented the algorithm using the Kokkos hardware abstraction library. While we targeted development towards machines with a GPU accelerator per MPI rank, we also report performance results for OpenMP with a conventional multi-core compute node per rank. Results here demonstrate a 47 % decrease in the time spent within the global search algorithm, comparing the reference ACME algorithm with the GPU implementation, on an 18M face problem using four MPI ranks. While further work remains to maximize performance on the GPU, this result illustrates the potential of the proposed implementation.

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The need for the engineering analysis of systems in which the transport of thermal energy occurs primarily through a conduction process is a common situation. For all but the simplest geometries and boundary conditions, analytic solutions to heat conduction problems are unavailable, thus forcing the analyst to call upon some type of approximate numerical procedure. A wide variety of numerical packages currently exist for such applications, ranging in sophistication from the large, general purpose, commercial codes, such as COMSOL, COSMOSWorks, ABAQUS and TSS to codes written by individuals for specific problem applications. The original purpose for developing the finite element code described here, COYOTE, was to bridge the gap between the complex commercial codes and the more simplistic, individual application programs. COYOTE was designed to treat most of the standard conduction problems of interest with a user-oriented input structure and format that was easily learned and remembered. Because of its architecture, the code has also proved useful for research in numerical algorithms and development of thermal analysis capabilities. This general philosophy has been retained in the current version of the program, COYOTE, Version 5.0, though the capabilities of the code have been significantly expanded. A major change in the code is its availability on parallel computer architectures and the increase in problem complexity and size that this implies. The present document describes the theoretical and numerical background for the COYOTE program. This volume is intended as a background document for the user's manual. Potential users of COYOTE are encouraged to become familiar with the present report and the simple example analyses reported in before using the program. The theoretical and numerical background for the finite element computer program, COYOTE, is presented in detail. COYOTE is designed for the multi-dimensional analysis of nonlinear heat conduction problems. A general description of the boundary value problems treated by the program is presented. The finite element formulation and the associated numerical methods used in COYOTE are also outlined. Instructions for use of the code are documented in SAND2010-0714.

An effort is underway at Sandia National Laboratories to develop a library of algorithms to search for potential interactions between surfaces represented by analytic and discretized topological entities. This effort is also developing algorithms to determine forces due to these interactions for transient dynamics applications. This document describes the Application Programming Interface (API) for the ACME (Algorithms for Contact in a Multiphysics Environment) library.

An effort is underway at Sandia National Laboratories to develop a library of algorithms to search for potential interactions between surfaces represented by analytic and discretized topological entities. This effort is also developing algorithms to determine forces due to these interactions for transient dynamics applications. This document describes the Application Programming Interface (API) for the ACME (Algorithms for Contact in a Multiphysics Environment) library.

An effort is underway at Sandia National Laboratories to develop a library of algorithms to search for potential interactions between surfaces represented by analytic and discretized topological entities. This effort is also developing algorithms to determine forces due to these interactions for transient dynamics applications. This document describes the Application Programming Interface (API) for the ACME (Algorithms for Contact in a Multiphysics Environment) library.

An effort is underway at Sandia National Laboratories to develop a library of algorithms to search for potential interactions between surfaces represented by analytic and discretized topological entities. This effort is also developing algorithms to determine forces due to these interactions for transient dynamics applications. This document describes the Application Programming Interface (API) for the ACME (Algorithms for Contact in a Multiphysics Environment) library.

Large, three-dimensional enclosure radiation beat transfer problems place a heavy demand on computing resources such as computational cycles, memory requirements, disk I/O, and disk space usage. This is primarily due to the computational and memory requirements associated with the view factor calculation and subsequent access of the view factor matrix during solution of the radiosity matrix equation. This is a fundamental problem that constrains Sandia`s current modeling capabilities. Reducing the computational and memory requirements for calculating and manipulating view factors would enable an analyst to increase the level of detail at which a body could be modeled and would have a major impact on many programs at Sandia such as weapon and transportation safety programs, component survivability programs, energy programs, and material processing programs. CHAPARRAL is a library package written to address these problems and is specifically tailored towards the efficient solution of extremely large three-dimensional enclosure radiation heat transfer problems.

In particle methods, each particle represents a finite region over which there is a distribution of the field quantity of interest. The field value at any point is calculated by summing the distribution functions for all the particles. This summation procedure does not require the use of any connectivities to generate continuous fields. Various AVS modules and networks have been developed that enable us to visualize the results from particle methods. This will be demonstrated by visualizing a numerical simulation of a rising, chaotic bubble. In this fluid dynamics simulation, each particle represents a region with a specified vorticity distribution.

At Sandia National Laboratories, the Engineering Sciences Center has made a commitment to integrate Application Visualization System (AVS) into our computing environment as the primary tool for scientific visualization. AVS will be used on an everyday basis by a broad spectrum of users ranging from the occasional computer user to AVS module developers. Additionally, AVS will be used to visualize structured grid, unstructured grid, gridless, 1D, 2D, 3D, steady-state, transient, computational, and experimental data. The following is one user`s perspective on how AVS meets this task. Several examples of how AVS is currently being utilized will be given along with some future directions.

A computer model for simulating the explosive dispersal of a fuel agent in the far-field regime is described and is applied to a wide variety of initial conditions to judge their effect upon the resulting fuel/air cloud. This work was directed toward modeling the dispersal process associated with Fuel-Air-Explosives devices. The far-field dispersal regime is taken to be that time after the initial burster charge detonation in which the shock forces no longer dominate the flow field and initial canister and fuel mass breakup has occurred. The model was applied to a low vapor pressure fuel, a high vapor pressure fuel and a solid fuel. A strong dependence of the final cloud characteristics upon the initial droplet size distribution was demonstrated. The predicted fuel-air clouds were highly non-uniform in concentration. 18 refs., 86 figs., 4 tabs.