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At least 775 records · Page 43

The ARM Data-oriented Metrics and Diagnostics Package for Climate Models - A New Tool for Evaluating Climate Models with Field Data

The U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) program User Facility produces ground-based long-term continuous unique measurements for atmospheric state, precipitation, turbulent fluxes, radiation, aerosol, cloud and the land surface, which are collected at multiple sites. These comprehensive datasets have been widely used to calibrate climate models and are proven to be invaluable for climate model development and improvement. This article introduces an evaluation package to facilitate the use of ground-based ARM measurements in climate model evaluation. The ARM data-oriented metrics and diagnostics package (ARM-DIAGS) includes both ARM observational datasets and a Python-based analysis toolkit for computation and visualization. The observational datasets are compiled from multiple ARM data products and specifically tailored for use in climate model evaluation. In addition, ARM-DIAGS also includes simulation data from models participating the Coupled Model Inter-comparison Project (CMIP), which will allow climate-modeling groups to compare a new, candidate version of their model to existing CMIP models. The analysis toolkit is designed to make the metrics and diagnostics quickly available to the model developers.

54 ENVIRONMENTAL SCIENCES↗

PETSc/TAO developments for GPU-based early exascale systems

The Portable Extensible Toolkit for Scientific Computation (PETSc) library provides scalable solvers for nonlinear time-dependent differential and algebraic equations and for numerical optimization via the Toolkit for Advanced Optimization (TAO). PETSc is used in dozens of scientific fields and is an important building block for many simulation codes. During the U.S. Department of Energy’s Exascale Computing Project, the PETSc team has made substantial efforts to enable efficient utilization of the massive fine-grain parallelism present within exascale compute nodes and to enable performance portability across exascale architectures. We recap some of the challenges that designers of numerical libraries face in such an endeavor, and then discuss the many developments we have made, which include the addition of new GPU backends, features supporting efficient on-device matrix assembly, better support for asynchronicity and GPU kernel concurrency, and new communication infrastructure. In conclusion, we evaluate the performance of these developments on some pre-exascale systems as well as the early exascale systems Frontier and Aurora, using compute kernel, communication layer, solver, and mini-application benchmark studies, and then close with a few observations drawn from our experiences on the tension between portable performance and other goals of numerical libraries.

Exascale Computing Project (ECP)↗

Web Extensible Display Manager 2

The Web Extensible Display Manager (WEDM) was first deployed at Jefferson Lab (JLab) in 2016 with the goal of rendering Extensible Display Manager (EDM) control screens on the web for the benefit of accessibility, and with version 2 our aim is to provide a more general purpose display toolkit by freeing ourselves from the constraints of the EDM dependency. Over the last few years WEDM has been extensively used at JLab for 24/7 information kiosks, on-call monitoring, and by remote users and staff. The software has also been deployed to Oak Ridge National Laboratory, and has become more robust as many bug fixes and contributions have been added. However, adoption and utility of the software as a general purpose control system display manager is limited by EDM, which is no longer actively maintained. A new toolkit can be built on modern frameworks, fully embrace web conventions and standards, and support multiple control system data sources. This new version is a result of a technology review and selection, and introduces a web inspired display file format, a web based display builder, new widgets, and a data interface intended to support pluggable data.

Slominski, R. J.↗

Extending the Remote Control Capabilities in the CMS Detector Control System with Remote Procedure Call Services

The CMS Detector Control System (DCS) is implemented as a large distributed and redundant system, with applications interacting and sharing data in multiple ways. The CMS XML-RPC is a software toolkit implementing the standard Remote Procedure Call (RPC) protocol, using the Extensible Mark-up Language (XML) and a custom lightweight variant using the JavaScript Object Notation (JSON) to model, encode and expose resources through the Hypertext Transfer Protocol (HTTP). The CMS XML-RPC toolkit complies with the standard specification of the XML-RPC protocol that allows system developers to build collaborative software architectures with self-contained and reusable logic, and with encapsulation of well-defined processes. The implementation of this protocol introduces not only a powerful communication method to operate and exchange data with web-based applications, but also a new programming paradigm to design service-oriented software architectures within the CMS DCS domain. This paper presents details of the CMS XML-RPC implementation in WinCC Open Architecture (OA) Control Language using an object-oriented approach.

43 PARTICLE ACCELERATORS↗

Optimization Using Metamodeling in the Context of Integrated Computational Materials Engineering (ICME)

Predictive Design Technologies, LLC (PDT) proposed to employ Integrated Computational Materials Engineering (ICME) tools to help the manufacturing industry in the United States regain the competitive advantage in the global economy. ICME uses computational materials science tools within a holistic system in order to accelerate materials development, improve design optimization, and unify design and manufacturing. With the advent of accurate modeling and simulation along with significant increases in high performance computing (HPC) power, virtual design and manufacturing using ICME tools provide the means to reduce product development time and cost by alleviating costly trial-and-error physical design iterations while improving overall quality and manufacturing efficiency. To reduce the computational cost necessary for the large-scale HPC simulations and to make the methodology accessible for small and medium-sized manufacturers (SMMs), metamodels are employed. Metamodels are approximate models (functional relationships between input and output variables) that can reduce the simulation times by one to two orders of magnitude. In Phase I, PDT, partnered with Mississippi State University (MSU), demonstrated the feasibility of the proposed methodology by employing MSU?s internal state variable (ISV) plasticity-damage model with the help of metamodels to optimize the microstructure-process-property-cost for tube manufacturing processes used by Plymouth Tube Company (PTC), which involves complicated temperature and mechanical loading histories. PDT quantified the microstructure-property relationships for PTC?s SAE J525 electric resistance-welded cold drawn low carbon hydraulic 1010 steel tube manufacturing processes at seven different material states and calibrated the ISV plasticity material parameters to fit experimental tensile stress-strain curves. PDT successfully performed large scale finite element (FE) simulations in an HPC environment using the ISV plasticity model in Abaqus FE analyses of the tube forming, sizing, drawing, welding, and normalizing processes. The simulation results coupled with the manufacturing cost data were used to develop prototype metamodeling (quick response) codes which could be used to predict and optimize the microstructure-process-property-cost relationships. The developed ICME metamodeling toolkits are flexible enough to be applied to other manufacturing processes (e.g. forging, forming, casting, extrusion, rolling, stamping, and welding/joining) and metamodeling codes can run on laptop computers. Based on the work completed in Phase I, in Phase II, PDT proposes to continue to refine the ISV model by correlating and incorporating the uncertainties in the microstructure, mechanical testing, and modeling. Following the model refinement, FE analyses will be simulated and will provide even more realistic predictions as they include an appropriate window of uncertainty. Using the HPC output (FE analyses) as input, the quick-response metamodel codes will more accurately predict and optimize the microstructure-process-property-cost relationships. Furthermore, PDT propose to employ the ICME metamodeling toolkits to help develop a new tube product using entirely new high strength steel. The modeling of the high strength steel manufacturing process will replace the costly and time consuming trial-and-error methods that were used in the tubing industry previously. This simulation-based process prototyping will greatly benefit our industrial partners by opening up new market spaces due to new products with greater capabilities.

36 MATERIALS SCIENCE↗

IHT: Tools for Computing Insolation Absorption by Particle Laden Flows

This report describes IHT, a toolkit for computing radiative heat exchange between particles. Well suited for insolation absorption computations, it is also has potential applications in combustion (sooting flames), biomass gasification processes and similar processes. The algorithm is based on the 'Photon Monte Carlo' approach and implemented in a library that can be interfaced with a variety of computational fluid dynamics codes to analyze radiative heat transfer in particle-laden flows. The emphasis in this report is on the data structures and organization of IHT for developers seeking to use the IHT toolkit to add Photon Monte Carlo capabilities to their own codes.

09 BIOMASS FUELS↗

Simulink/PARS Integration Support

The state of the art for signal processor hardware has far out-paced the development tools for placing applications on that hardware. In addition, signal processors are available in a variety of architectures, each uniquely capable of handling specific types of signal processing efficiently. With these processors becoming smaller and demanding less power, it has become possible to group multiple processors, a heterogeneous set of processors, into single systems. Different portions of the desired problem set can be assigned to different processor types as appropriate. As software development tools do not keep pace with these processors, especially when multiple processors of different types are used, a method is needed to enable software code portability among multiple processors and multiple types of processors along with their respective software environments. Sundance DSP, Inc. has developed a software toolkit called “PARS”, whose objective is to provide a framework that uses suites of tools provided by different vendors, along with modeling tools and a real time operating system, to build an application that spans different processor types. The software language used to express the behavior of the system is a very high level modeling language, “Simulink”, a MathWorks product. ORNL has used this toolkit to effectively implement several deliverables. This CRADA describes this collaboration between ORNL and Sundance DSP, Inc.

97 MATHEMATICS AND COMPUTING↗

Development Plan for NEAMS Neutronics Module

Focusing on the NEAMS concept, we have a desire to replace or augment the existing modeling approaches in order to reduce the requirements on building experiments before building the desired reactor plant. The final goal is to use the NEAMS toolkit to generate the typical kinetics parameters used in existing safety analysis tools in addition to a dynamics capable, kinetics functionality which can be alternatively combined with other components of the NEAMS toolkit for coupled simulation and more detailed analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Efficient Memory Access with NumPy Global Arrays using Local Memory Access

This paper discusses the work completed working with Global Arrays of data on distributed multi-computer systems and improving their performance. The tasks completed were done at Pacific Northwest National Laboratory in the Science Undergrad Laboratory Internship program in the summer of 2013 for the Data Intensive Computing Group in the Fundamental and Computational Sciences DIrectorate. This work was done on the Global Arrays Toolkit developed by this group. This toolkit is an interface for programmers to more easily create arrays of data on networks of computers. This is useful because scientific computation is often done on large amounts of data sometimes so large that individual computers cannot hold all of it. This data is held in array form and can best be processed on supercomputers which often consist of a network of individual computers doing their computation in parallel. One major challenge for this sort of programming is that operations on arrays on multiple computers is very complex and an interface is needed so that these arrays seem like they are on a single computer. This is what global arrays does. The work done here is to use more efficient operations on that data that requires less copying of data to be completed. This saves a lot of time because copying data on many different computers is time intensive. The way this challenge was solved is when data to be operated on with binary operations are on the same computer, they are not copied when they are accessed. When they are on separate computers, only one set is copied when accessed. This saves time because of less copying done although more data access operations were done.

Daily, Jeffrey A.↗

Dakota, a multilevel parallel object-oriented framework for design optimization, parameter estimation, uncertainty quantification, and sensitivity analysis version 6.0 theory manual

The Dakota (Design Analysis Kit for Optimization and Terascale Applications) toolkit provides a exible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quanti cation with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a exible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a theoretical manual for selected algorithms implemented within the Dakota software. It is not intended as a comprehensive theoretical treatment, since a number of existing texts cover general optimization theory, statistical analysis, and other introductory topics. Rather, this manual is intended to summarize a set of Dakota-related research publications in the areas of surrogate-based optimization, uncertainty quanti cation, and optimization under uncertainty that provide the foundation for many of Dakota's iterative analysis capabilities.

97 MATHEMATICS AND COMPUTING↗

Dakota, a multilevel parallel object-oriented framework for design optimization, parameter estimation, uncertainty quantification, and sensitivity analysis :

The Dakota (Design Analysis Kit for Optimization and Terascale Applications) toolkit provides a exible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quanti cation with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a exible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a user's manual for the Dakota software and provides capability overviews and procedures for software execution, as well as a variety of example studies.

97 MATHEMATICS AND COMPUTING↗

Coupled Physics Environment (CouPE) library - Design, Implementation, and Release

Over several years, high fidelity, validated mono-­physics solvers with proven scalability on peta-­scale architectures have been developed independently. Based on a unified component-­based architecture, these existing codes can be coupled with a unified mesh-­data backplane and a flexible coupling-­strategy-­based driver suite to produce a viable tool for analysts. In this report, we present details on the design decisions and developments on CouPE, an acronym that stands for Coupled Physics Environment that orchestrates a coupled physics solver through the interfaces exposed by MOAB array-­based unstructured mesh, both of which are part of SIGMA (Scalable Interfaces for Geometry and Mesh-­Based Applications) toolkit. The SIGMA toolkit contains libraries that enable scalable geometry and unstructured mesh creation and handling in a memory and computationally efficient implementation. The CouPE version being prepared for a full open-­source release along with updated documentation will contain several useful examples that will enable users to start developing their applications natively using the native MOAB mesh and couple their models to existing physics applications to analyze and solve real world problems of interest. An integrated multi-­physics simulation capability for the design and analysis of current and future nuclear reactor models is also being investigated as part of the NEAMS RPL, to tightly couple neutron transport, thermal-­hydraulics and structural mechanics physics under the SHARP framework. This report summarizes the efforts that have been invested in CouPE to bring together several existing physics applications namely PROTEUS (neutron transport code), Nek5000 (computational fluid-dynamics code) and Diablo (structural mechanics code). The goal of the SHARP framework is to perform fully resolved coupled physics analysis of a reactor on heterogeneous geometry, in order to reduce the overall numerical uncertainty while leveraging available computational resources. The design of CouPE along with motivations that led to implementation choices are also discussed. The first release of the library will be different from the current version of the code that integrates the components in SHARP and explanation on the need for forking the source base will also be provided. Enhancements in the functionality and improved user guides will be available as part of the release. CouPE v0.1 is scheduled for an open-­source release in December 2014 along with SIGMA v1.1 components that provide support for language-agnostic mesh loading, traversal and query interfaces along with scalable solution transfer of fields between different physics codes. The coupling methodology and software interfaces of the library are presented, along with verification studies on two representative fast sodium-­cooled reactor demonstration problems to prove the usability of the CouPE library.

97 MATHEMATICS AND COMPUTING↗

An Update on NiCE Support for BISON

The Nuclear Energy Advanced Modeling and Simulation program (NEAMS) from the Department of Energy s Office of Nuclear Energy has funded the development of a modeling and simulation workflow environment to support the various codes in its nuclear energy scientific computing toolkit. This NEAMS Integrated Computational Environment (NiCE) provides extensible tools and services that enable efficient code execution, input generation, pre-processing visualizations, and post-simulation data analysis and visualization for a large portion of the NEAMS Toolkit. A strong focus for the NiCE development team throughout FY 2015 has been support for the Multiphysics Object Oriented Simulation Environment (MOOSE) and the NEAMS nuclear fuel performance modeling application built on that environment, BISON. There is a strong desire in the program to enable and facilitate the use of BISON throughout nuclear energy research and industry. A primary result of this desire is the need for strong support for BISON in NiCE. This report will detail improvements to NiCE support for BISON. We will present a new and improved interface for interacting with BISON simulations in a variety of ways: (1) improved input model generation, (2) embedded mesh and solution data visualizations, and (3) local and remote BISON simulation launch. We will also show how NiCE has been extended to provide support for BISON code development.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

SIGMA Release v1.2 - Capabilities, Enhancements and Fixes

In this report, we present details on SIGMA toolkit along with its component structure, capabilities, and feature additions in FY15, release cycles, and continuous integration process. These software processes along with updated documentation are imperative to successfully integrate and utilize in several applications including the SHARP coupled analysis toolkit for reactor core systems funded under the NEAMS DOE-NE program.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

SIND Operational Analysis and Tools Improvement (Final Technical Report)

The goal of the SIND Toolkit project is to create a new national solar database with higher temporal and spatial resolution to reduce the costs and risks of integrating solar power systems into the electric power grid. Previous versions of this dataset from the WWSIS2 study and the ERGIS study have already been widely utilized by academics, utilities, and others after having been made publically available. This dataset, along with its companion WIND Toolkit dataset (Draxl, Clifton, Hodge, & McCaa, 2015), will be utilized for the next 5 – 10 years as the foundation for the vast majority of new grid integration studies.

14 SOLAR ENERGY↗

Agile Components for Modeling Internal Flows

The purpose of this project was to rapidly demonstrate the capabilities of Sandia’s Agile Components toolkit by building a prototype simulator for modeling internal fluid flows and similar technologies of interest to GE Global Research. In doing so, this allowed the CRADA partner to learn about the Agile Components from the Sandia experts that designed and developed the toolkit. Sandia and DOE benefited from the application of Agile Components to another type of modeling and simulation application that helped to further generalize and harden the Agile Components software. As per the CRADA/PTS agreement, the resulting demonstration application can now be distributed under an open source license so that it can be made available for others to also learn from.

97 MATHEMATICS AND COMPUTING↗

New simulation capability for gamma ray mirror experiments

This report provides a description of the simulation toolkit developed at Lawrence Livermore National Laboratory to support the design of nuclear safeguards experiments using grazing incidence multilayer mirrors in the energy band of uranium (U) and plutonium (Pu) emission lines. This effort was motivated by the data analysis of a scoping experiment at the Irradiated Fuels Examination Facility (IFEL) at Oak Ridge National Laboratory in FY13 and of a benchmark experiment at the Idaho National Laboratory (INL) in FY14 that highlighted the need for predictive tools built around a ray-tracing capability. This report presents the simulation toolkit and relevant results such as the simulated spectra for TMI, MOX, and ATM106 fuel rods based on spent fuel models provided by Los Alamos National Laboratory and for a virgin high 240 Pu-content fuel plate, as well as models of the IFEL and INL experiments implemented in the ray tracing tool. The beam position and height were validated against the INL ~60 keV americium data. Examples of alternate configurations of the optics or experimental set-up illustrate the future use of the simulation suite to guide the next IFEL experimental campaign.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

3D Simulation of External Flooding Events for the RISMC Pathway

Incorporating 3D simulations as part of the Risk-Informed Safety Margins Characterization (RISMIC) Toolkit allows analysts to obtain a more complete picture of complex system behavior for events including external plant hazards. External events such as flooding have become more important recently – however these can be analyzed with existing and validated simulated physics toolkits. In this report, we describe these approaches specific to flooding-based analysis using an approach called Smoothed Particle Hydrodynamics. The theory, validation, and example applications of the 3D flooding simulation are described. Integrating these 3D simulation methods into computational risk analysis provides a spatial/visual aspect to the design, improves the realism of results, and can prove visual understanding to validate the analysis of flooding.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗