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DOE OSTI2017

Acceleration of the IMplicit–EXplicit nonhydrostatic unified model of the atmosphere on manycore processors

We present the acceleration of an IMplicit-EXplicit (IMEX) nonhydrostatic atmospheric model on manycore processors such as graphic processing units (GPUs) and Intel's Many Integrated Core (MIC) architecture. IMEX time integration methods sidestep the constraint imposed by the Courant-Friedrichs-Lewy condition on explicit methods through corrective implicit solves within each time step. In this work, we implement and evaluate the performance of IMEX on manycore processors relative to explicit methods. Using 3D-IMEX at Courant number C = 15, we obtained a speedup of about 4x relative to an explicit time stepping method run with the maximum allowable C = 1. Moreover, the unconditional stability of IMEX with respect to the fast waves means the speedup can increase significantly with the Courant number as long as the accuracy of the resulting solution is acceptable. We show a speedup of 100x at C = 150 using 1D-IMEX to demonstrate this point. Several improvements on the IMEX procedure were necessary in order to outperform our results with explicit methods: (a) reducing the number of degrees of freedom of the IMEX formulation by forming the Schur complement, (b) formulating a horizontally explicit vertically implicit 1D-IMEX scheme that has a lower workload and better scalability than 3D-IMEX, (c) using high-order polynomial preconditioners to reduce the condition number of the resulting system, and (d) using a direct solver for the 1D-IMEX method by performing and storing LU factorizations once to obtain a constant cost for any Courant number. Without all of these improvements, explicit time integration methods turned out to be difficult to beat. We discuss in detail the IMEX infrastructure required for formulating and implementing efficient methods on manycore processors. Several parametric studies are conducted to demonstrate the gain from each of the abovementioned improvements. Lastly, we validate our results with standard benchmark problems in numerical weather prediction and evaluate the performance and scalability of the IMEX method using up to 4192 GPUs and 16 Knights Landing processors.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

NEAMS Workbench MOOSE Integration Update

The Nuclear Energy Advanced Modeling and Simulation (NEAMS) Workbench is a graphical user interface (GUI) that provides a common analysis environment for the accelerated use of the NEAMS toolkit. To improve design and analysis of current and future nuclear energy systems, the NEAMS Workbench provides an integrated development environment for model creation, review, execution, output review, and visualization for integrated tools. In addition to a GUI, the NEAMS Workbench provides the Workbench Analysis Sequence Processor, an open-source tool set that facilitates input-content assistance for supported domain-specific input languages and user-friendly syntaxes. These supported syntaxes enable accelerated development and deployment of enhanced user inputs and workflows. The Multiphysics Object-Oriented Simulation Environment (MOOSE) has been supported in the NEAMS Workbench since 2016 and receives continuous updates. Efforts to improve MOOSE-based tool integration in the NEAMS Workbench are ongoing. This document details the current and planned enhancements of the NEAMS Workbench and the MOOSE framework to improve integration and usability of MOOSE-based applications within the NEAMS Workbench.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1993

Automatic specification of reliability models for fault-tolerant computers

The calculation of reliability measures using Markov models is required for life-critical processor-memory-switch structures that have standby redundancy or that are subject to transient or intermittent faults or repair. The task of specifying these models is tedious and prone to human error because of the large number of states and transitions required in any reasonable system. Therefore, model specification is a major analysis bottleneck, and model verification is a major validation problem. The general unfamiliarity of computer architects with Markov modeling techniques further increases the necessity of automating the model specification. Automation requires a general system description language (SDL). For practicality, this SDL should also provide a high level of abstraction and be easy to learn and use. The first attempt to define and implement an SDL with those characteristics is presented. A program named Automated Reliability Modeling (ARM) was constructed as a research vehicle. The ARM program uses a graphical interface as its SDL, and it outputs a Markov reliability model specification formulated for direct use by programs that generate and evaluate the model.

Liceaga, Carlos A.↗

NASA NTRS2013

A Validated Set of MIDAS V5 Task Network Model Scenarios to Evaluate Nextgen Closely Spaced Parallel Operations Concepts

The Closely Spaced Parallel Operations (CSPO) scenario is a complex, human performance model scenario that tested alternate operator roles and responsibilities to a series of off-nominal operations on approach and landing (see Gore, Hooey, Mahlstedt, Foyle, 2013). The model links together the procedures, equipment, crewstation, and external environment to produce predictions of operator performance in response to Next Generation system designs, like those expected in the National Airspaces NextGen concepts. The task analysis that is contained in the present report comes from the task analysis window in the MIDAS software. These tasks link definitions and states for equipment components, environmental features as well as operational contexts. The current task analysis culminated in 3300 tasks that included over 1000 Subject Matter Expert (SME)-vetted, re-usable procedural sets for three critical phases of flight; the Descent, Approach, and Land procedural sets (see Gore et al., 2011 for a description of the development of the tasks included in the model; Gore, Hooey, Mahlstedt, Foyle, 2013 for a description of the model, and its results; Hooey, Gore, Mahlstedt, Foyle, 2013 for a description of the guidelines that were generated from the models results; Gore, Hooey, Foyle, 2012 for a description of the models implementation and its settings). The rollout, after landing checks, taxi to gate and arrive at gate illustrated in Figure 1 were not used in the approach and divert scenarios exercised. The other networks in Figure 1 set up appropriate context settings for the flight deck.The current report presents the models task decomposition from the tophighest level and decomposes it to finer-grained levels. The first task that is completed by the model is to set all of the initial settings for the scenario runs included in the model (network 75 in Figure 1). This initialization process also resets the CAD graphic files contained with MIDAS, as well as the embedded operator models that comprise MIDAS. Following the initial settings, the model progresses to begin the first tasks required of the two flight deck operators, the Captain (CA) and the First Officer (FO). The task sets will initialize operator specific settings prior to loading all of the alerts, probes, and other events that occur in the scenario. As a note, the CA and FO were terms used in developing this model but the CA can also be thought of as the Pilot Flying (PF), while the FO can be considered the Pilot-Not-Flying (PNF)or Pilot Monitoring (PM). As such, the document refers to the operators as PFCA and PNFFO respectively.

task network model↗

NASA NTRS2016

Graphical Acoustic Liner Design and Analysis Tool

An interactive liner design and impedance modeling tool comprises software utilized to design acoustic liners for use in constrained spaces, both regularly and irregularly shaped. A graphical user interface allows the acoustic channel geometry to be drawn in a liner volume while the surface impedance calculations are updated and displayed in real-time. A one-dimensional transmission line model may be used as the basis for the impedance calculations.

Howerton, Brian M.↗

DOE OSTI2020

ddcMD: A fully GPU-accelerated molecular dynamics program for the Martini force field

We have implemented the Martini force field within Lawrence Livermore National Laboratory’s molecular dynamics program, ddcMD. The program is extended to a heterogeneous programming model so that it can exploit graphics processing unit (GPU) accelerators. In addition to the Martini force field being ported to the GPU, the entire integration step, including thermostat, barostat, and constraint solver, is ported as well, which speeds up the simulations to 278-fold using one GPU vs one central processing unit (CPU) core. A benchmark study is performed with several test cases, comparing ddcMD and GROMACS Martini simulations. The average performance of ddcMD for a protein–lipid simulation system of 136k particles achieves 1.04 µs/day on one NVIDIA V100 GPU and aggregates 6.19 µs/day on one Summit node with six GPUs. The GPU implementation in ddcMD offloads all computations to the GPU and only requires one CPU core per simulation to manage the inputs and outputs, freeing up remaining CPU resources on the compute node for alternative tasks often required in complex simulation campaigns.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Final report for the DOE Early Career Award #DE-SC0003912

This DoE supported early career project was aimed at developing computational models, theory and simulation methods that would be then be used to predict assembly and morphology in polymer nanocomposites. In particular, the focus was on composites in active layers of devices, containing conducting polymers that act as electron donors and nanoscale additives that act as electron acceptors. During the course this work, we developed the first of its kind molecular models to represent conducting polymers enabling simulations at the experimentally relevant length and time scales. By comparison with experimentally observed morphologies we validated these models. Furthermore, using these models and molecular dynamics simulations on graphical processing units (GPUs) we predicted the molecular level design features in polymers and additive that lead to morphologies with optimal features for charge carrier behavior in solar cells. Additionally, we also predicted computationally new design rules for better dispersion of additives in polymers that have been confirmed through experiments. Achieving dispersion in polymer nanocomposites is valuable to achieve controlled macroscopic properties of the composite. The results obtained during the course of this DOE funded project enables optimal design of higher efficiency organic electronic and photovoltaic devices and improve every day life with engineering of these higher efficiency devices.

14 SOLAR ENERGY↗

NASA NTRS1973

Small Interactive Image Processing System (SMIPS) system description

The Small Interactive Image Processing System (SMIPS) operates under control of the IBM-OS/MVT operating system and uses an IBM-2250 model 1 display unit as interactive graphic device. The input language in the form of character strings or attentions from keys and light pen is interpreted and causes processing of built-in image processing functions as well as execution of a variable number of application programs kept on a private disk file. A description of design considerations is given and characteristics, structure and logic flow of SMIPS are summarized. Data management and graphic programming techniques used for the interactive manipulation and display of digital pictures are also discussed.

Moik, J. G.↗

NASA NTRS1980

Plaid evaluation of visual access for PDP berthing and deployment

Tests were performed to evaluate visual access for berthing and deployment of the Plasma Diagnostic Package (PDP) in Space Transportation 4 Flight (STS-4). The Panel Layout Automated Interactive Design (PLAID), a 3 D computer graphics package, was used to construct models of the PDP, pallet, orbiter payload bay, the Remote Manipulator System (RMS), and other relevant elements to represent the STS-4 configuration. Several different assemblies were made, each one representing a snapshot of the PDP during berth/deploy maneuvers. Thirty-six views were produced during this test.

Brown, J. W.↗

NASA NTRS1986

Specular and direct radiative loads on space structure

The use of special models for trusses, and of fast graphical computational techniques, are discussed to reduce the computation times of intersurface radiation loads and specularly reflected radiation. The conditions under which the One-Dimensional approximation can be used, and the computation of the obstructed view factors for arbitrary surfaces, including the One-Dimensional surface, are considered using both contour and double area integration. The Adaptive Ray Tracing method is found to be very fast for surface configurations and obstruction densities typical of space structures, and it is shown to be best suited to views of J from I which are relatively simple and cover only a few subareas of S.

Emery, A. F.↗

NASA NTRS1988

NASA standard: Trend analysis techniques

This Standard presents descriptive and analytical techniques for NASA trend analysis applications. Trend analysis is applicable in all organizational elements of NASA connected with, or supporting, developmental/operational programs. Use of this Standard is not mandatory; however, it should be consulted for any data analysis activity requiring the identification or interpretation of trends. Trend Analysis is neither a precise term nor a circumscribed methodology, but rather connotes, generally, quantitative analysis of time-series data. For NASA activities, the appropriate and applicable techniques include descriptive and graphical statistics, and the fitting or modeling of data by linear, quadratic, and exponential models. Usually, but not always, the data is time-series in nature. Concepts such as autocorrelation and techniques such as Box-Jenkins time-series analysis would only rarely apply and are not included in this Standard. The document presents the basic ideas needed for qualitative and quantitative assessment of trends, together with relevant examples. A list of references provides additional sources of information.

Source record↗

NASA NTRS1990

NASA standard: Trend analysis techniques

Descriptive and analytical techniques for NASA trend analysis applications are presented in this standard. Trend analysis is applicable in all organizational elements of NASA connected with, or supporting, developmental/operational programs. This document should be consulted for any data analysis activity requiring the identification or interpretation of trends. Trend analysis is neither a precise term nor a circumscribed methodology: it generally connotes quantitative analysis of time-series data. For NASA activities, the appropriate and applicable techniques include descriptive and graphical statistics, and the fitting or modeling of data by linear, quadratic, and exponential models. Usually, but not always, the data is time-series in nature. Concepts such as autocorrelation and techniques such as Box-Jenkins time-series analysis would only rarely apply and are not included in this document. The basic ideas needed for qualitative and quantitative assessment of trends along with relevant examples are presented.

Source record↗

NASA NTRS1993

Grid generation requirements at Marshall Space Flight Center

These viewgraphs present three examples of structural grid generation from MSFC analysts. The propulsion systems components include high performance requirements and multi-curved surfaces. Grid generation or finite element meshing for structural and thermal analysis models is currently accomplished using interactive graphics based software on personal workstations.

Larry Kiefling↗

NASA NTRS1994

Representing spatial information in a computational model for network management

While currently available relational database management systems (RDBMS) allow inclusion of spatial information in a data model, they lack tools for presenting this information in an easily comprehensible form. Computer-aided design (CAD) software packages provide adequate functions to produce drawings, but still require manual placement of symbols and features. This project has demonstrated a bridge between the data model of an RDBMS and the graphic display of a CAD system. It is shown that the CAD system can be used to control the selection of data with spatial components from the database and then quickly plot that data on a map display. It is shown that the CAD system can be used to extract data from a drawing and then control the insertion of that data into the database. These demonstrations were successful in a test environment that incorporated many features of known working environments, suggesting that the techniques developed could be adapted for practical use.

Blaisdell, James H.↗

NASA NTRS1994

HiRel: Hybrid Automated Reliability Predictor (HARP) integrated reliability tool system, (version 7.0). Volume 1: HARP introduction and user's guide

The Hybrid Automated Reliability Predictor (HARP) integrated Reliability (HiRel) tool system for reliability/availability prediction offers a toolbox of integrated reliability/availability programs that can be used to customize the user's application in a workstation or nonworkstation environment. HiRel consists of interactive graphical input/output programs and four reliability/availability modeling engines that provide analytical and simulative solutions to a wide host of reliable fault-tolerant system architectures and is also applicable to electronic systems in general. The tool system was designed to be compatible with most computing platforms and operating systems, and some programs have been beta tested, within the aerospace community for over 8 years. Volume 1 provides an introduction to the HARP program. Comprehensive information on HARP mathematical models can be found in the references.

Bavuso, Salvatore J.↗

NASA NTRS2002

An Illumination Modeling System for Human Factors Analyses

Seeing is critical to human performance. Lighting is critical for seeing. Therefore, lighting is critical to human performance. This is common sense, and here on earth, it is easily taken for granted. However, on orbit, because the sun will rise or set every 45 minutes on average, humans working in space must cope with extremely dynamic lighting conditions. Contrast conditions of harsh shadowing and glare is also severe. The prediction of lighting conditions for critical operations is essential. Crew training can factor lighting into the lesson plans when necessary. Mission planners can determine whether low-light video cameras are required or whether additional luminaires need to be flown. The optimization of the quantity and quality of light is needed because of the effects on crew safety, on electrical power and on equipment maintainability. To address all of these issues, an illumination modeling system has been developed by the Graphics Research and Analyses Facility (GRAF) and Lighting Environment Test Facility (LETF) in the Space Human Factors Laboratory at NASA Johnson Space Center. The system uses physically based ray tracing software (Radiance) developed at Lawrence Berkeley Laboratories, a human factors oriented geometric modeling system (PLAID) and an extensive database of humans and environments. Material reflectivity properties of major surfaces and critical surfaces are measured using a gonio-reflectometer. Luminaires (lights) are measured for beam spread distribution, color and intensity. Video camera performances are measured for color and light sensitivity. 3D geometric models of humans and the environment are combined with the material and light models to form a system capable of predicting lighting conditions and visibility conditions in space.

Huynh, Thong↗

NASA NTRS2004

Advanced Manufacturing Techniques Demonstrated for Fabricating Developmental Hardware

NASA Glenn Research Center's Engineering Development Division has been working in support of innovative gas turbine engine systems under development by Glenn's Combustion Branch. These one-of-a-kind components require operation under extreme conditions. High-temperature ceramics were chosen for fabrication was because of the hostile operating environment. During the designing process, it became apparent that traditional machining techniques would not be adequate to produce the small, intricate features for the conceptual design, which was to be produced by stacking over a dozen thin layers with many small features that would then be aligned and bonded together into a one-piece unit. Instead of using traditional machining, we produced computer models in Pro/ENGINEER (Parametric Technology Corporation (PTC), Needham, MA) to the specifications of the research engineer. The computer models were exported in stereolithography standard (STL) format and used to produce full-size rapid prototype polymer models. These semi-opaque plastic models were used for visualization and design verification. The computer models also were exported in International Graphics Exchange Specification (IGES) format and sent to Glenn's Thermal/Fluids Design & Analysis Branch and Applied Structural Mechanics Branch for profiling heat transfer and mechanical strength analysis.

Redding, Chip↗

NASA NTRS2017

End-to-End Trade-Space Analysis for Designing Constellation

Multipoint measurement missions can provide a significant advancement in science return and this science interest coupled with as many recent technological advances are driving a growing trend in exploring distributed architectures for future NASA missions. Distributed Spacecraft Missions (DSMs) leverage multiple spacecraft to achieve one or more common goals. In particular, a constellation is the most general form of DSM with two or more spacecraft placed into specific orbit(s) for the purpose of serving a common objective (e.g., CYGNSS). Because a DSM architectural trade-space includes both monolithic and distributed design variables, DSM optimization is a large and complex problem with multiple conflicting objectives. Over the last two years, our team has been developing a Trade-space Analysis Tool for Constellations (TAT-C), implemented in common programming languages for pre-Phase A constellation mission analysis. By evaluating alternative mission architectures, TAT-C seeks to minimize cost and maximize performance for pre-defined science goals. This presentation will describe the overall architecture of TAT-C including: a User Interface (UI) at several levels of details and user expertise; Trade-space Search Requests that are created from the Science requirements gathered by the UI and validated by a Knowledge Base; a Knowledge Base to compare the current requests to prior mission concepts to potentially prune the trade-space; a Trade-space Search Iterator which, with inputs from the Knowledge Base, and, in collaboration with the Orbit & Coverage, Reduction & Metrics, and Cost& Risk modules, generates multiple potential architectures and their associated characteristics. TAT-C leverages the use of the Goddard Mission Analysis Tool (GMAT) to compute coverage and ancillary data, modeling orbits to balance accuracy and performance. The current version includes uniform and non-uniform Walker constellations as well as Ad-Hoc and precessing constellations, and its cost model represents an aggregate model consisting of Cost Estimating Relationships (CERs) from widely accepted models. The current GUI automatically generates graphics representing metrics such as average revisit time or coverage as a function of cost. The end-to-end system will be demonstrated as part of the presentation.

Mission Desig↗