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All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Software Engineering Support of the Third Round of Scientific Grand Challenge Investigations: Earth System Modeling Software Framework Survey

One of the most significant challenges in large-scale climate modeling, as well as in high-performance computing in other scientific fields, is that of effectively integrating many software models from multiple contributors. A software framework facilitates the integration task, both in the development and runtime stages of the simulation. Effective software frameworks reduce the programming burden for the investigators, freeing them to focus more on the science and less on the parallel communication implementation. while maintaining high performance across numerous supercomputer and workstation architectures. This document surveys numerous software frameworks for potential use in Earth science modeling. Several frameworks are evaluated in depth, including Parallel Object-Oriented Methods and Applications (POOMA), Cactus (from (he relativistic physics community), Overture, Goddard Earth Modeling System (GEMS), the National Center for Atmospheric Research Flux Coupler, and UCLA/UCB Distributed Data Broker (DDB). Frameworks evaluated in less detail include ROOT, Parallel Application Workspace (PAWS), and Advanced Large-Scale Integrated Computational Environment (ALICE). A host of other frameworks and related tools are referenced in this context. The frameworks are evaluated individually and also compared with each other.

Talbot, Bryan↗
NASA NTRS1997

Issues in Defining Software Architectures in a GIS Environment

The primary mission of the Pan-American Center for Earth and Environmental Studies (PACES) is to advance the research areas that are relevant to NASA's Mission to Planet Earth program. One of the activities at PACES is the establishment of a repository for geographical, geological and environmental information that covers various regions of Mexico and the southwest region of the U.S. and that is acquired from NASA and other sources through remote sensing, ground studies or paper-based maps. The center will be providing access of this information to other government entities in the U.S. and Mexico, and research groups from universities, national laboratories and industry. Geographical Information Systems(GIS) provide the means to manage, manipulate, analyze and display geographically referenced information that will be managed by PACES. Excellent off-the-shelf software exists for a complete GIS as well as software for storing and managing spatial databases, processing images, networking and viewing maps with layered information. This allows the user flexibility in combining systems to create a GIS or to mix these software packages with custom-built application programs. Software architectural languages provide the ability to specify the computational components and interactions among these components, an important topic in the domain of GIS because of the need to integrate numerous software packages. This paper discusses the characteristics that architectural languages address with respect to the issues relating to the data that must be communicated between software systems and components when systems interact. The paper presents a background on GIS in section 2. Section 3 gives an overview of software architecture and architectural languages. Section 4 suggests issues that may be of concern when defining the software architecture of a GIS. The last section discusses the future research effort and finishes with a summary.

Acosta, Jesus↗
NASA NTRS1974

Eigenproblem solution of damped structural systems

This article presents an efficient numerical algorithm and a complete listing of the associated computer program, developed for the eigenproblem solution of discrete damped structures, including spinning ones. The numerically stable procedure is based on a combined Sturm sequence and inverse iteration technique, which fully exploits the banded form of the relevant matrices and proves to be most substantially economical when compared to similar existing softwares. Numerical results are presented for representative structures, solved by the present computer program written in FORTRAN V for the JPL UNIVAC 1108 computer.

Gupta, K. K.↗
NASA NTRS1992

Experimental software engineering: Seventeen years of lessons in the SEL

Seven key principles developed by the Software Engineering Laboratory (SEL) at the Goddard Space Flight Center (GSFC) of the National Aeronautics and Space Administration (NASA) are described. For the past 17 years, the SEL has been experimentally analyzing the development of production software as varying techniques and methodologies are applied in this one environment. The SEL has collected, archived, and studied detailed measures from more than 100 flight dynamics projects, thereby gaining significant insight into the effectiveness of numerous software techniques, as well as extensive experience in the overall effectiveness of 'Experimental Software Engineering'. This experience has helped formulate follow-on studies in the SEL, and it has helped other software organizations better understand just what can be accomplished and what cannot be accomplished through experimentation.

Mcgarry, Frank E.↗
DOE OSTI2024

Neuromorphic intermediate representation: A unified instruction set for interoperable brain-inspired computing

Abstract Spiking neural networks and neuromorphic hardware platforms that simulate neuronal dynamics are getting wide attention and are being applied to many relevant problems using Machine Learning. Despite a well-established mathematical foundation for neural dynamics, there exists numerous software and hardware solutions and stacks whose variability makes it difficult to reproduce findings. Here, we establish a common reference frame for computations in digital neuromorphic systems, titled Neuromorphic Intermediate Representation (NIR). NIR defines a set of computational and composable model primitives as hybrid systems combining continuous-time dynamics and discrete events. By abstracting away assumptions around discretization and hardware constraints, NIR faithfully captures the computational model, while bridging differences between the evaluated implementation and the underlying mathematical formalism. NIR supports an unprecedented number of neuromorphic systems, which we demonstrate by reproducing three spiking neural network models of different complexity across 7 neuromorphic simulators and 4 digital hardware platforms. NIR decouples the development of neuromorphic hardware and software, enabling interoperability between platforms and improving accessibility to multiple neuromorphic technologies. We believe that NIR is a key next step in brain-inspired hardware-software co-evolution, enabling research towards the implementation of energy efficient computational principles of nervous systems. NIR is available atneuroir.org

Science & Technology - Other Topics↗
DOE OSTI2022

Automatic Differentiation of C++ Codes on Emerging Manycore Architectures with Sacado

Automatic differentiation (AD) is a well-known technique for evaluating analytic derivatives of calculations implemented on a computer, with numerous software tools available for incorporating AD technology into complex applications. However, a growing challenge for AD is the efficient differentiation of parallel computations implemented on emerging manycore computing architectures such as multicore CPUs, GPUs, and accelerators as these devices become more pervasive. In this work, we explore forward mode, operator overloading-based differentiation of C++ codes on these architectures using the widely available Sacado AD software package. In particular, we leverage Kokkos, a C++ tool providing APIs for implementing parallel computations that is portable to a wide variety of emerging architectures. Here we describe the challenges that arise when differentiating code for these architectures using Kokkos, and two approaches for overcoming them that ensure optimal memory access patterns as well as expose additional dimensions of fine-grained parallelism in the derivative calculation. We describe the results of several computational experiments that demonstrate the performance of the approach on a few contemporary CPU and GPU architectures. We then conclude with applications of these techniques to the simulation of discretized systems of partial differential equations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Milestone 49 Report: Batched Sparse LA Phase 5 Implementation

Batched sparse linear algebra operations in general, and solvers in particular, have become the major algorithmic development activity and foremost performance engineering effort in the numerical software libraries work on modern hardware with accelerators such as GPUs. Many applications, ECP and non-ECP alike, require simultaneous solutions of many small linear systems of equations that are structurally sparse in one form or another. In order to move towards high hardware utilization levels, it is important to provide these applications with appropriate interface designs to be both functionally efficient and performance portable and give full access to the appropriate batched sparse solvers running on modern hardware accelerators prevalent across DOE supercomputing sites since the inception of ECP. To this end, we present here a summary of recent advances on the interface designs in use by HPC software libraries supporting batched sparse linear algebra and the development of sparse batched kernel codes for solvers and preconditioners. We also address the potential interoperability opportunities to keep the corresponding software portable between the major hardware accelerators from AMD, Intel, and NVIDIA, while maintaining the appropriate disclosure levels conforming to the active NDA agreements. The presented interface specifications include a mix of batched band, sparse iterative, and sparse direct solvers with their accompanying functionality that is already required by the application codes or we anticipated to be needed in the near future. This report summarizes progress in Kokkos Kernels and the xSDK libraries MAGMA, Ginkgo, hypre, PETSc, and SuperLU.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1978

Desirable floating-point arithmetic and elementary functions for numerical computation

The topics considered are: (1) the base of the number system, (2) precision control, (3) number representation, (4) arithmetic operations, (5) other basic operations, (6) elementary functions, and (7) exception handling. The possibility of doing without fixed-point arithmetic is also mentioned. The specifications are intended to be entirely at the level of a programming language such as FORTRAN. The emphasis is on convenience and simplicity from the user's point of view. Conforming to such specifications would have obvious beneficial implications for the portability of numerical software, and for proving programs correct, as well as attempting to provide facilities which are most suitable for the user. The specifications are not complete in every detail, but it is intended that they be complete in spirit - some further details, especially syntatic details, would have to be provided, but the proposals are otherwise relatively complete.

Hull, T. E.↗
NASA NTRS1984

Report of the Panel on Computer and Information Technology

Aircraft have become more and more dependent on computers (information processing) for improved performance and safety. It is clear that this activity will grow, since information processing technology has advanced by a factor of 10 every 5 years for the past 35 years and will continue to do so. Breakthroughs in device technology, from vacuum tubes through transistors to integrated circuits, contribute to this rapid pace. This progress is nearly matched by similar, though not as dramatic, advances in numerical software and algorithms. Progress has not been easy. Many technical and nontechnical challenges were surmounted. The outlook is for continued growth in capability but will require surmounting new challenges. The technology forecast presented in this report has been developed by extrapolating current trends and assessing the possibilities of several high-risk research topics. In the process, critical problem areas that require research and development emphasis have been identified. The outlook assumes a positive perspective; the projected capabilities are possible by the year 2000, and adequate resources will be made available to achieve them. Computer and information technology forecasts and the potential impacts of this technology on aeronautics are identified. Critical issues and technical challenges underlying the achievement of forecasted performance and benefits are addressed.

Lundstrom, Stephen F.↗
NASA NTRS1997

Efficacy of Code Optimization on Cache-Based Processors

In this paper a number of techniques for improving the cache performance of a representative piece of numerical software is presented. Target machines are popular processors from several vendors: MIPS R5000 (SGI Indy), MIPS R8000 (SGI PowerChallenge), MIPS R10000 (SGI Origin), DEC Alpha EV4 + EV5 (Cray T3D & T3E), IBM RS6000 (SP Wide-node), Intel PentiumPro (Ames' Whitney), Sun UltraSparc (NERSC's NOW). The optimizations all attempt to increase the locality of memory accesses. But they meet with rather varied and often counterintuitive success on the different computing platforms. We conclude that it may be genuinely impossible to obtain portable performance on the current generation of cache-based machines. At the least, it appears that the performance of modern commodity processors cannot be described with parameters defining the cache alone.

VanderWijngaart, Rob F.↗
DOE OSTI2025

SAM User's Guide

The System Analysis Module (SAM) is a modern system analysis tool being developed at Argonne National Laboratory for advanced non-LWR safety analysis. It aims to provide fast-running, whole-plant transient analyses capability with improved-fidelity for Sodium-cooled Fast Reactors (SFR), Lead-cooled Fast Reactors (LFR), and Molten Salt Reactors (MSR) or Fluoride-cooled High-temperature Reactors (FHR). SAM takes advantage of advances in physical modeling, numerical methods, and software engineering to enhance its user experience and usability. It utilizes an object-oriented application framework (MOOSE), and its underlying meshing and finite-element library (libMesh) and linear and non-linear solvers (PETSc), to leverage the modern advanced software environments and numerical methods. This document provides a user’s guide, which will help users understand the input description and core capabilities of the SAM code. A brief overview of the code is presented, as well as how to obtain and run it. The input syntax for various parts of the code is provided. Additionally, a number of example problems, starting with simple unit component problems to problems with increasing complexity, are provided. Because the code is still under active development, this SAM User’s Guide will evolve with periodic updates.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1998

An Object Model for a Rocket Engine Numerical Simulator

Rocket Engine Numerical Simulator (RENS) is a packet of software which numerically simulates the behavior of a rocket engine. Different parameters of the components of an engine is the input to these programs. Depending on these given parameters the programs output the behaviors of those components. These behavioral values are then used to guide the design of or to diagnose a model of a rocket engine "built" by a composition of these programs simulating different components of the engine system. In order to use this software package effectively one needs to have a flexible model of a rocket engine. These programs simulating different components then should be plugged into this modular representation. Our project is to develop an object based model of such an engine system. We are following an iterative and incremental approach in developing the model, as is the standard practice in the area of object oriented design and analysis of softwares. This process involves three stages: object modeling to represent the components and sub-components of a rocket engine, dynamic modeling to capture the temporal and behavioral aspects of the system, and functional modeling to represent the transformational aspects. This article reports on the first phase of our activity under a grant (RENS) from the NASA Lewis Research center. We have utilized Rambaugh's object modeling technique and the tool UML for this purpose. The classes of a rocket engine propulsion system are developed and some of them are presented in this report. The next step, developing a dynamic model for RENS, is also touched upon here. In this paper we will also discuss the advantages of using object-based modeling for developing this type of an integrated simulator over other tools like an expert systems shell or a procedural language, e.g., FORTRAN. Attempts have been made in the past to use such techniques.

Mitra, D.↗
DOE OSTI2022

Enabling New Flexibility in the SUNDIALS Suite of Nonlinear and Differential/Algebraic Equation Solvers

In recent years, the SUite of Nonlinear and DIfferential/ALgebraic equation Solvers (SUNDIALS) has been redesigned to better enable the use of application-specific and third-party algebraic solvers and data structures. Throughout this work, we have adhered to specific guiding principles that minimized the impact to current users while providing maximum flexibility for later evolution of solvers and data structures. The redesign was done through the addition of new linear and nonlinear solvers classes, enhancements to the vector class, and the creation of modern Fortran interfaces. The vast majority of this work has been performed “behind-the-scenes,” with minimal changes to the user interface and no reduction in solver capabilities or performance. These changes allow SUNDIALS users to more easily utilize external solver libraries and create highly customized solvers, enabling greater flexibility on extreme-scale, heterogeneous computational architectures.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2007

Comparison of a Simple Patched Conic Trajectory Code to Commercially Available Software

Often in spaceflight proposal development, mission designers must eva luate numerous trajectories as different design factors are investiga ted. Although there are numerous commercial software packages availab le to help develop and analyze trajectories, most take a significant amount of time to develop the trajectory itself, which isn't effectiv e when working on proposals. Thus a new code, PatCon, which is both q uick and easy to use, was developed to aid mission designers to condu ct trade studies on launch and arrival times for any given target pla net. The code is able to run quick analyses, due to the incorporation of the patched conic approximation, to determine the trajectory. PatCon provides a simple but accurate approximation of the four body moti on problem that would be needed to solve any planetary trajectory. P atCon has been compared to a patched conic test case for verification, with limited validation or comparison with other COTS software. This paper describes the patched conic technique and its implementation i n PatCon. A description of the results and comparison of PatCon to ot her more evolved codes such as AGI#s Satellite Tool Kit and JAQAR As trodynamics# Swingby Calculator is provided. The results will include percent differences in values such as C3 numbers, and Vinfinity at a rrival, and other more subjective results such as the time it takes to build the simulation, and actual calculation time.

AndersonPark, Brooke M.↗
DOE OSTI2022

Simulation of Transport Phenomena in Bubble Column Reactors

The production of carbon and hydrogen from methane is a viable pathway for monetizing the vast reserves of US natural gas. Liquid (metals and/or salts) bubble column reactors operating at temperatures greater than 1000° C allow the conversion of methane into hydrogen without CO 2 emission. The low-density carbon floats on top of the liquid surface, allowing an easier removal, compared to other reactor concepts for methane pyrolysis. In this current report, we present results from simulations of transport phenomena in a liquid bubble column reactor. The goal is to investigate and understand parameters that are crucial for bubble column reactor design and scale up. The report presents the formulation and numerical methods used in the multiphase direct numerical simulation software, Quilt. This software was validated for the bubbly flow using numerical and physics based test problems. Quilt was then used to perform simulations of the bubble column reactor as a parametric study, varying the bubble injection parameters. The simulations were visualized for qualitative analysis and followed up with a quantitative analysis. The effect of injection parameters on various quantitative measures of the bubble residence time, interfacial area and motion through the column are presented.

03 NATURAL GAS↗
DOE OSTI2025

SAM Theory Manual

The System Analysis Module (SAM) is an advanced and modern system analysis tool under development at Argonne National Laboratory for advanced non-LWR reactor safety analysis. It aims to provide fast-running, modest-fidelity, whole-plant transient analyses capabilities, which are essential for fast turnaround design scoping and engineering analyses of advanced reactor concepts. While SAM is being developed as a system-level modeling and simulation tool, advanced modeling techniques being implemented include a reduced-order three-dimensional module, pseudo 3-D conjugate heat transfer modeling in reactor core, flexible and multi-scale modeling of heat transfer between fluid and structures, in addition to the advances in software environments and design, and numerical methods. SAM aims to be a generic system-level safety analysis tool for advanced non-LWRs, including Liquid-Metal-cooled fast Reactors (LMR), Molten Salt Reactors (MSR), Fluoride-salt-cooled High-temperature Reactors (FHR), and High-Temperature Gas-cooled Reactors (HTGR). SAM takes advantage of advances in physical modeling, numerical methods, and software engineering to enhance its user experience and usability. It utilizes an object-oriented computational framework (MOOSE), and its underlying meshing and finite-element library and linear and non-linear solvers, to leverage the modern advanced software environments and numerical methods. This document provides the theoretical and technical basis of the code to help users understand the underlying physical models (such as governing equations, closure models, and component models), system modeling approaches, numerical discretization and solution methods, and the overall capabilities in SAM. As new code capabilities and features are added, the SAM Theory Manual will be updated periodically to keep it consistent with the state of the development.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1998

Algorithms and Libraries

This exploratory study initiated our inquiry into algorithms and applications that would benefit by latency tolerant approach to algorithm building, including the construction of new algorithms where appropriate. In a multithreaded execution, when a processor reaches a point where remote memory access is necessary, the request is sent out on the network and a context--switch occurs to a new thread of computation. This effectively masks a long and unpredictable latency due to remote loads, thereby providing tolerance to remote access latency. We began to develop standards to profile various algorithm and application parameters, such as the degree of parallelism, granularity, precision, instruction set mix, interprocessor communication, latency etc. These tools will continue to develop and evolve as the Information Power Grid environment matures. To provide a richer context for this research, the project also focused on issues of fault-tolerance and computation migration of numerical algorithms and software. During the initial phase we tried to increase our understanding of the bottlenecks in single processor performance. Our work began by developing an approach for the automatic generation and optimization of numerical software for processors with deep memory hierarchies and pipelined functional units. Based on the results we achieved in this study we are planning to study other architectures of interest, including development of cost models, and developing code generators appropriate to these architectures.

Dongarra, Jack↗
NASA NTRS2007

Algorithm-Based Fault Tolerance for Numerical Subroutines

A software library implements a new methodology of detecting faults in numerical subroutines, thus enabling application programs that contain the subroutines to recover transparently from single-event upsets. The software library in question is fault-detecting middleware that is wrapped around the numericalsubroutines. Conventional serial versions (based on LAPACK and FFTW) and a parallel version (based on ScaLAPACK) exist. The source code of the application program that contains the numerical subroutines is not modified, and the middleware is transparent to the user. The methodology used is a type of algorithm- based fault tolerance (ABFT). In ABFT, a checksum is computed before a computation and compared with the checksum of the computational result; an error is declared if the difference between the checksums exceeds some threshold. Novel normalization methods are used in the checksum comparison to ensure correct fault detections independent of algorithm inputs. In tests of this software reported in the peer-reviewed literature, this library was shown to enable detection of 99.9 percent of significant faults while generating no false alarms.

Tumon, Michael↗