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At least 91 records · Page 5

Insights From the Software Design of a Multiphysics Multicomponent Scientific Code

Using simulations for scientific discovery requires that the software used in the simulations undergoes a rigorous design and development process similar to that of the lab instruments in the experimental sciences. To devise a good design methodology, it is critical to understand the requirements, constraints, and challenges. Furthermore, this article describes insights from the long-term stewardship of a multiphysics multicomponent software, FLASH, that was designed more than 20 years ago for astrophysics, now serves multiple communities, and has been successful in adapting to the changing world of high-performance computing.

97 MATHEMATICS AND COMPUTING↗

eSHAFTS: Integrated and graphical drug design software based on 3D molecular similarity

With the development of computer technology, computer‐aided drug design (CADD) has become an important means for drug research and development, and its representative method is virtual screening. Various virtual screening platforms have emerged in an endless stream and play great roles in the field of drug discovery. With the increasing number of compound molecules, virtual screening platforms face two challenges: low fluency and low visibility of software operations. In this article, we present an integrated and graphical drug design software eSHAFTS based on three‐dimensional (3D) molecular similarity to overcome these shortcomings. Compared with other software, eSHAFTS has four main advantages, which are integrated molecular editing and drawing, interactive loading and analysis of proteins, multithread and multimode 3D molecular similarity calculation, and multidimensional information visualization. Experiments have verified its convenience, usability, and reliability. By using eSHAFTS, various tasks can be submitted and visualized in one desktop software without locally installing any dependent plug‐ins or software. The software installation package can be downloaded for free at http://lilab.ecust.edu.cn/home/resource.html . © 2019 Wiley Periodicals, Inc.

He, Gaoqi↗

Executive system software design and expert system implementation

The topics are presented in viewgraph form and include: software requirements; design layout of the automated assembly system; menu display for automated composite command; expert system features; complete robot arm state diagram and logic; and expert system benefits.

Cheryl L Allen↗

The dividends of investing in computational software design: A case study

A significant fraction of computational software for scientific research grows through accretion. In a common scenario, a small group develops a code for a specific purpose. Others find the software useful, so they add to it for their own use. The software grows to the point where its management becomes intractable and scientific results obtained from it become unreliable. This is in stark contrast with a small number of scientific codes that have undergone a design process, be it due to an upfront investment, or when haphazardly grown codes have reset and started again. At a minimum, these codes reduce the time to obtain research results for the communities they serve because individual researchers do not have to develop their own codes. They provide further benefits; the results they produce are more reproducible due to greater scrutiny, leading to better science. One of the more overlooked benefits, which is perhaps of greater significance, is that a well-designed code can expand to serve communities beyond the ones it was designed for. Thus, research communities with similar computational requirements can symbiotically improve computation-based research for each other. In this article, we present a case study of FLASH, a code that was designed and developed for simulating thermonuclear runaways such as novae and type Ia supernovae in astrophysics. Designed to be modular and extensible, users from several diverse research areas have added capabilities to it and adapted it for their own communities. Examples include cosmology, high-energy density physics, core-collapse supernovae, star formation, fluid–structure interactions, and chemical combustion. We give a summary of design features that facilitated the expansion and quantify the effort needed to expand into some of the above-mentioned fields. We also quantify the impact on different communities by mining the database of publications using FLASH, collected by its developers.

97 MATHEMATICS AND COMPUTING↗

Flight Software Design and On-orbit Maintenance

This viewgraph presentation discusses the maintenance of flight software (FSW) on-orbit and the design of that software to allow maintenance of programs while they are on orbit.

Calder, Alexander C.↗

Software design and documentation language

A communications medium to support the design and documentation of complex software applications is studied. The medium also provides the following: (1) a processor which can convert design specifications into an intelligible, informative machine reproducible document; (2) a design and documentation language with forms and syntax that are simple, unrestrictive, and communicative; and (3) methodology for effective use of the language and processor.

Kleine, H.↗

Effective Software Design and Development for the New Graph Architecture HPC Machines

Software applications need to change and adapt as modern architectures evolve. Nowadays advancement in chip design translates to increased parallelism. Exploiting such parallelism is a major challenge in modern software engineering. Multicore processors are about to introduce a significant change in the way we design and use fundamental data structures. In this work we describe the design and programming principles of a software library of highly concurrent scalable and nonblocking data containers. In this project we have created algorithms and data structures for handling fundamental computations in massively multithreaded contexts, and we have incorporated these into a usable library with familiar look and feel. In this work we demonstrate the first design and implementation of a wait-free hash table. Our multiprocessor data structure design allows a large number of threads to concurrently insert, remove, and retrieve information. Non-blocking designs alleviate the problems traditionally associated with the use of mutual exclusion, such as bottlenecks and thread-safety. Lock-freedom provides the ability to share data without some of the drawbacks associated with locks, however, these designs remain susceptible to starvation. Furthermore, wait-freedom provides all of the benefits of lock-free synchronization with the added assurance that every thread makes progress in a finite number of steps. This implies deadlock-freedom, livelock-freedom, starvation-freedom, freedom from priority inversion, and thread-safety. The challenges of providing the desirable progress and correctness guarantees of wait-free objects makes their design and implementation difficult. There are few wait-free data structures described in the literature. Using only standard atomic operations provided by the hardware, our design is portable; therefore, it is applicable to a variety of data-intensive applications including the domains of embedded systems and supercomputers.Our experimental evaluation shows that our hash table design outperforms the most advanced locking solution, provided by Intel's TBB library, by 22%. When compared to more traditional locking designs we show a performance improvement by a factor of 7.92. When compared to alternative non-blocking designs, our hash table demonstrates solid performance gains in a large majority of cases, typically by a factor of 3.44.

99 GENERAL AND MISCELLANEOUS↗

Managing Software Design and Design Changes

Microprocessor-based system for document production work scheduling, and change control and management information aids in design, development, and control of software. Main components Z80 microprocessor, floppydisk and hard-disk drives, and a character printer. System linked to large computer. Major software components are control program monitor (CP/M), text-editing and wordprocessing system, workbreakdown-schedule processor, and data-base management tool.

Loesh, R. E.↗

Automating software design system DESTA

'DESTA' is the acronym for the Dialogue Evolutionary Synthesizer of Turnkey Algorithms by means of a natural language (Russian or English) functional specification of algorithms or software being developed. DESTA represents the computer-aided and/or automatic artificial intelligence 'forgiving' system which provides users with software tools support for algorithm and/or structured program development. The DESTA system is intended to provide support for the higher levels and earlier stages of engineering design of software in contrast to conventional Computer Aided Design (CAD) systems which provide low level tools for use at a stage when the major planning and structuring decisions have already been taken. DESTA is a knowledge-intensive system. The main features of the knowledge are procedures, functions, modules, operating system commands, batch files, their natural language specifications, and their interlinks. The specific domain for the DESTA system is a high level programming language like Turbo Pascal 6.0. The DESTA system is operational and runs on an IBM PC computer.

Lovitsky, Vladimir A.↗

DEVELOPMENT OF A SOFTWARE DESIGN TOOL FOR HYBRID SOLAR-GEOTHERMAL HEAT PUMP SYSTEMS IN HEATING- AND COOLING-DOMINATED BUILDINGS

This project provides an easy-to-use, menu-driven, software tool for designing hybrid solar-geothermal heat pump systems (GHP) for both heating- and cooling-dominated buildings. No such design tool currently exists. In heating-dominated buildings, the design approach takes advantage of glazed solar collectors to effectively balance the annual thermal loads on the ground with renewable solar energy. In cooling-dominated climates, the design approach takes advantage of relatively low-cost, unglazed solar collectors as the heat rejecting component. The primary benefit of hybrid GHPs is the reduced initial cost of the ground heat exchanger (GHX). Furthermore, solar thermal collectors can be used to balance the ground loads over the annual cycle, thus making the GHX fully sustainable; in heating-dominated buildings, the hybrid energy source (i.e., solar) is renewable, in contrast to a typical fossil fuel boiler or electric resistance as the hybrid component; in cooling-dominated buildings, use of unglazed solar collectors as a heat rejecter allows for passive heat rejection, in contrast to a cooling tower that consumes a significant amount of energy to operate, and hybrid GHPs can expand the market by allowing reduced GHX footprint in both heating- and cooling-dominated climates. The design tool allows for the straight-forward design of innovative GHP systems that currently pose a significant design challenge. The project lays the foundations for proper and reliable design of hybrid GHP systems, overcoming a series of difficult and cumbersome steps without the use of a system simulation approach, and without an automated optimization scheme. As new technologies and design concepts emerge, sophisticated design tools and methodologies must accompany them and be made usable for practitioners. Lack of reliable design tools results in reluctance of practitioners to implement more complex systems. A menu-driven software tool for the design of hybrid solar GHP systems is provided that is based on mathematically robust, validated models. An automated optimization tool is used to balance ground loads and incorporated into the simulation engine. With knowledge of the building loads, thermal properties of the ground, the borehole heat exchanger configuration, the heat pump peak hourly and seasonal COP for heating and cooling, the critical heat pump design entering fluid temperature, and the thermal performance of a solar collector, the total GHX length can be calculated along with the area of a supplemental solar collector array and the corresponding reduced GHX length. An economic analysis module allows for the calculation of the lowest capital cost combination of solar collector area and GHX length. ACKNOWLEDGMENTS This project was funded by the United States Department of Energy DOE-DE-FOA-0000116, Recovery Act Geothermal Technologies Program: Ground Source Heat Pumps. The lead contractor, The University of Hartford, was supported by The University of Dayton, and the Oak Ridge National Laboratories. All funding and support for this project as well as contributions of graduate and undergraduate students from the contributing institutions are gratefully acknowledged.

14 SOLAR ENERGY↗

Aviation Design Software

DARcorporation developed a General Aviation CAD package through a Small Business Innovation Research contract from Langley Research Center. This affordable, user-friendly preliminary design system for General Aviation aircraft runs on the popular 486 IBM-compatible personal computers. Individuals taking the home-built approach, small manufacturers of General Aviation airplanes, as well as students and others interested in the analysis and design of aircraft are possible users of the package. The software can cut design and development time in half.

Source record↗

AirSTAR Hardware and Software Design for Beyond Visual Range Flight Research

The National Aeronautics and Space Administration (NASA) Airborne Subscale Transport Aircraft Research (AirSTAR) Unmanned Aerial System (UAS) is a facility developed to study the flight dynamics of vehicles in emergency conditions, in support of aviation safety research. The system was upgraded to have its operational range significantly expanded, going beyond the line of sight of a ground-based pilot. A redesign of the airborne flight hardware was undertaken, as well as significant changes to the software base, in order to provide appropriate autonomous behavior in response to a number of potential failures and hazards. Ground hardware and system monitors were also upgraded to include redundant communication links, including ADS-B based position displays and an independent flight termination system. The design included both custom and commercially available avionics, combined to allow flexibility in flight experiment design while still benefiting from tested configurations in reversionary flight modes. A similar hierarchy was employed in the software architecture, to allow research codes to be tested, with a fallback to more thoroughly validated flight controls. As a remotely piloted facility, ground systems were also developed to ensure the flight modes and system state were communicated to ground operations personnel in real-time. Presented in this paper is a general overview of the concept of operations for beyond visual range flight, and a detailed review of the airborne hardware and software design. This discussion is held in the context of the safety and procedural requirements that drove many of the design decisions for the AirSTAR UAS Beyond Visual Range capability.

Laughter, Sean↗

Methodology for object-oriented real-time systems analysis and design: Software engineering

Successful application of software engineering methodologies requires an integrated analysis and design life-cycle in which the various phases flow smoothly 'seamlessly' from analysis through design to implementation. Furthermore, different analysis methodologies often lead to different structuring of the system so that the transition from analysis to design may be awkward depending on the design methodology to be used. This is especially important when object-oriented programming is to be used for implementation when the original specification and perhaps high-level design is non-object oriented. Two approaches to real-time systems analysis which can lead to an object-oriented design are contrasted: (1) modeling the system using structured analysis with real-time extensions which emphasizes data and control flows followed by the abstraction of objects where the operations or methods of the objects correspond to processes in the data flow diagrams and then design in terms of these objects; and (2) modeling the system from the beginning as a set of naturally occurring concurrent entities (objects) each having its own time-behavior defined by a set of states and state-transition rules and seamlessly transforming the analysis models into high-level design models. A new concept of a 'real-time systems-analysis object' is introduced and becomes the basic building block of a series of seamlessly-connected models which progress from the object-oriented real-time systems analysis and design system analysis logical models through the physical architectural models and the high-level design stages. The methodology is appropriate to the overall specification including hardware and software modules. In software modules, the systems analysis objects are transformed into software objects.

Schoeffler, James D.↗

Software design space exploration for exascale combustion co-design

The design of hardware for next-generation exascale computing systems will require a deep understanding of how software optimizations impact hardware design trade-offs. In order to characterize how co-tuning hardware and software parameters affects the performance of combustion simulation codes, we created ExaSAT, a compiler-driven static analysis and performance modeling framework. Our framework can evaluate hundreds of hardware/software configurations in seconds, providing an essential speed advantage over simulators and dynamic analysis techniques during the co-design process. Our analytic performance model shows that advanced code transformations, such as cache blocking and loop fusion, can have a significant impact on choices for cache and memory architecture. Our modeling helped us identify tuned configurations that achieve a 90% reduction in memory traffic, which could significantly improve performance and reduce energy consumption. These techniques will also be useful for the development of advanced programming models and runtimes, which must reason about these optimizations to deliver better performance and energy efficiency.

97 MATHEMATICS AND COMPUTING↗

The Software Design for the Wide-Field Infrared Explorer Attitude Control System

The Wide-Field Infrared Explorer (WIRE), currently scheduled for launch in September 1998, is the fifth of five spacecraft in the NASA/Goddard Small Explorer (SMEX) series. This paper presents the design of WIRE's Attitude Control System flight software (ACS FSW). WIRE is a momentum-biased, three-axis stabilized stellar pointer which provides high-accuracy pointing and autonomous acquisition for eight to ten stellar targets per orbit. WIRE's short mission life and limited cryogen supply motivate requirements for Sun and Earth avoidance constraints which are designed to prevent catastrophic instrument damage and to minimize the heat load on the cryostat. The FSW implements autonomous fault detection and handling (FDH) to enforce these instrument constraints and to perform several other checks which insure the safety of the spacecraft. The ACS FSW implements modules for sensor data processing, attitude determination, attitude control, guide star acquisition, actuator command generation, command/telemetry processing, and FDH. These software components are integrated with a hierarchical control mode managing module that dictates which software components are currently active. The lowest mode in the hierarchy is the 'safest' one, in the sense that it utilizes a minimal complement of sensors and actuators to keep the spacecraft in a stable configuration (power and pointing constraints are maintained). As higher modes in the hierarchy are achieved, the various software functions are activated by the mode manager, and an increasing level of attitude control accuracy is provided. If FDH detects a constraint violation or other anomaly, it triggers a safing transition to a lower control mode. The WIRE ACS FSW satisfies all target acquisition and pointing accuracy requirements, enforces all pointing constraints, provides the ground with a simple means for reconfiguring the system via table load, and meets all the demands of its real-time embedded environment (16 MHz Intel 80386 processor with 80387 coprocessor running under the VRTX operating system). The mode manager organizes and controls all the software modules used to accomplish these goals, and in particular, the FDH module is tightly coupled with the mode manager.

Anderson, Mark O.↗