SEARCH · Engineering Papers

Results for “scientific software engineering”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 37 records · Page 2

All sources NASA NTRS DOE OSTI

NASA NTRS1983

NASA's computer science research program

Following a major assessment of NASA's computing technology needs, a new program of computer science research has been initiated by the Agency. The program includes work in concurrent processing, management of large scale scientific databases, software engineering, reliable computing, and artificial intelligence. The program is driven by applications requirements in computational fluid dynamics, image processing, sensor data management, real-time mission control and autonomous systems. It consists of university research, in-house NASA research, and NASA's Research Institute for Advanced Computer Science (RIACS) and Institute for Computer Applications in Science and Engineering (ICASE). The overall goal is to provide the technical foundation within NASA to exploit advancing computing technology in aerospace applications.

Larsen, R. L.↗

NASA NTRS1989

The making of the mechanical universe

The Mechanical Universe project required the production of over 550 different animated scenes, totaling about 7 and 1/2 hours of screen time. The project required the use of a wide range of techniques and motivated the development of several different software packages. A documentation is presented of many aspects of the project, encompassing artistic design issues, scientific simulations, software engineering, and video engineering.

Blinn, James↗

DOE OSTI2020

The challenges of theory-software translation

Background: Software is now ubiquitous within research. In addition to the general challenges common to all software development projects, research software must also represent, manipulate, and provide data for complex theoretical constructs. Ensuring this process of theory-software translation is robust is essential to maintaining the integrity of the science resulting from it, and yet there has been little formal recognition or exploration of the challenges associated with it. Methods: We thematically analyse the outputs of the discussion sessions at the Theory-Software Translation Workshop 2019, where academic researchers and research software engineers from a variety of domains, and with particular expertise in high performance computing, explored the process of translating between scientific theory and software. Results: We identify a wide range of challenges to implementing scientific theory in research software and using the resulting data and models for the advancement of knowledge. We categorise these within the emergent themes of design, infrastructure, and culture, and map them to associated research questions. Conclusions: Systematically investigating how software is constructed and its outputs used within science has the potential to improve the robustness of research software and accelerate progress in its development. We propose that this issue be examined within a new research area of theory-software translation, which would aim to significantly advance both knowledge and scientific practice.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2013

NASA Tech Briefs, April 2013

Topics covered include: Fully Integrated, Miniature, High-Frequency Flow Probe Utilizing MEMS Leadless SOI Technology; Nanoscale Surface Plasmonics Sensor With Nanofluidic Control; Advanced Dispersed Fringe Sensing Algorithm for Coarse Phasing Segmented Mirror Telescopes; Neural Network Back-Propagation Algorithm for Sensing Hypergols; Bulk Moisture and Salinity Sensor; Change-Based Satellite Monitoring Using Broad Coverage and Targetable Sensing; Circularly Polarized Microwave Antenna Element with Very Low Off-Axis Cross-Polarization; Ultra-Low Heat-Leak, High-Temperature Superconducting Current Leads for Space Applications; Flash Cracking Reactor for Waste Plastic Processing; An Automated Safe-to-Mate (ASTM) Tester; Wireless Chalcogenide Nanoionic-Based Radio-Frequency Switch; Compute Element and Interface Box for the Hazard Detection System; DOT Transmit Module; Composite Aerogel Multifoil Protective Shielding; Li-Ion Electrolytes with Improved Safety and Tolerance to High-Voltage Systems; Polymer-Reinforced, Non-Brittle, Lightweight Cryogenic Insulation; Controlled, Site-Specific Functionalization of Carbon Nanotubes with Diazonium Salts; Regenerable Sorbent for CO2 Removal; Sprayable Aerogel Bead Compositions With High Shear Flow Resistance and High Thermal Insulation Value; Lexan Linear Shaped Charge Holder with Magnets and Backing Plate; Robotic Ankle for Omnidirectional Rock Anchors; Wind, Wave, and Tidal Energy Without Power Conditioning; An Active Heater Control Concept to Meet IXO Type Mirror Module Thermal-Structural Distortion Requirement; Waterless Clothes-Cleaning Machine; Integrated Electrical Wire Insulation Repair System; LVGEMS Time-of-Flight Mass Spectrometry on Satellites; Surface Inspection Tool for Optical Detection of Surface Defects; Per-Pixel, Dual-Counter Scheme for Optical Communications; Certification-Based Process Analysis; Surface Navigation Using Optimized Waypoints and Particle Swarm Optimization; Smart-Divert Powered Descent Guidance to Avoid the Backshell Landing Dispersion Ellipse; Estimating Foreign-Object-Debris Density from Photogrammetry Data; Adaptive Sampling of Spatiotemporal Phenomena with Optimization Criteria; Building a 2.5D Digital Elevation Model From 2D Imagery; Eyes on the Earth 3D; Target Trailing With Safe Navigation for Maritime Autonomous Surface Vehicles; Adams-Based Rover Terramechanics and Mobility Simulator - ARTEMIS; ISTP CDF Skeleton Editor; Uplink Summary Generator (ULSGEN) Version 1.0; Robotics On-Board Trainer (ROBoT); Software Engineering Tools for Scientific Models; Automatic Data Filter Customization Using a Genetic Algorithm; Tracker Toolkit; Towards Efficient Scientific Data Management Using Cloud Storage; On a Formal Tool for Reasoning About Flight Software Cost Analysis; A Nanostructured Composites Thermal Switch Controls Internal and External Short Circuit in Lithium Ion Batteries; Spacecraft Crew Cabin Condensation Control; and Functional Near-Infrared Spectroscopy Signals Measure Neuronal Activity in the Cortex.

Source record↗

DOE OSTI2021

Position Papers for the ASCR Workshop on the Science of Scientific-Software Development and Use

Software is an increasingly important component in the pursuit of scientific discovery. Both its development and use are essential activities for many scientific teams. At the same time, very little scientific study has been conducted to understand, characterize, and improve the development and use of software for science. Computational science teams have diversified over time to include contributions from domain scientists who provide expertise in scientific and engineering disciplines, applied mathematicians and computer scientists who provide optimal algorithms and data structures, and software and data engineers who provide methodologies and tools adapted and adopted from other software domains. These diverse contributions have enabled tremendous advances in the pursuit of scientific discovery, even as models, computer architectures, and software environments have become more complicated. With this increasing diversity, we believe the next opportunity for qualitative improvement comes from applying the scientific method to understanding, characterizing, and improving how scientific software is developed and used. We believe that this pursuit requires expertise from computational scientists themselves, and from the cognitive and social sciences as well as the software engineering research community. As we look to increase the productivity and sustainability of the scientific-software-development-and-use cycle, a more systematic application of the scientific method to understand processes for software development and use will be a valuable tool to guide future work and result in more usable and sustainable software. This workshop will bring together computer scientists, software engineering researchers, computational scientists, applied mathematicians, social scientists, cognitive scientists, and others, to explore how we can conduct such systematic investigations, what can be learned, and how doing so will benefit the scientific enterprise. The workshop will be structured around a set of breakout sessions, with every attendee expected to participate actively in the discussions. Afterward, workshop attendees — from DOE, industry, and academia — will produce a report for ASCR that summarizes the findings of the workshop.

42 ENGINEERING↗

DOE OSTI2020

The Kokkos Ecosystem [Brief]

In 2016/2017, the field of High-Performance Computing (HPC) entered a new era driven by fundamental physics challenges to produce ever more energy and cost-efficient processors. Since the convergence on the Message-Passing Interface (MPI) standard in the mid-1990s, application developers enjoyed a seemingly static view of the underlying machine — that of a distributed collection of homogeneous nodes executing in collaboration. However, after almost two decades of dominance, the sole use of MPI to derive parallelism acted as a limiter to improved future performance. While MPI is widely expected to continue to function as the basic mechanism for communication between compute nodes for the immediate future, additional parallelism is required on the computing node itself if high performance and efficiency goals are to be realized. When reviewing the architectures of the top HPC systems today, the change in paradigm is clear: the compute nodes of the leading machines in the world are either powered by many-core chips with a few dozen cores each, or use heterogeneous designs, where traditional CPUs marshal work to massively parallel compute accelerators which has as many as 200,000 processing threads in flight simultaneously. Complicating matters further for application developers, each processor vendor has its own preferred way of writing code for their architecture.The Kokkos EcoSystem was released by Sandia in 2017 to address this new era in HPC system design by providing a vendor independent performance portable programming system for scientific, engineering, and mathematical software applications written in the C++ programming language. Using Kokkos, application developers can be more productive because they will not have to create and maintain separate versions of their software for each architecture, nor will they have to be experts in each architecture's peculiar requirements. Instead, they will have a single method of programming for the diverse set of modern HPC architectures. While Kokkos started in 2011 as a programming model only, it soon became clear that complex applications needed more. It is also critical to have a portable mathematical functions and developers need tools to debug their applications, gain insight into the performance characteristics of their codes and tune algorithm performance parameters through automated processes. The Kokkos EcoSystem addresses those needs through its three main components: the Kokkos Core programming model, the Kokkos Kernels math library, and the Kokkos Tools project.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1993

Sculpting in cyberspace: Parallel processing the development of new software

Stimulating creativity in problem solving, particularly where software development is involved, is applicable to many disciplines. Metaphorical thinking keeps the problem in focus but in a different light, jarring people out of their mental ruts and sparking fresh insights. It forces the mind to stretch to find patterns between dissimilar concepts, in the hope of discovering unusual ideas in odd associations (Technology Review January 1993, p. 37). With a background in Engineering and Visual Design from MIT, I have for the past 30 years pursued a career as a sculptor of interdisciplinary monumental artworks that bridge the fields of science, engineering and art. Since 1979, I have pioneered the application of computer simulation to solve the complex problems associated with these projects. A recent project for the roof of the Carnegie Science Center in Pittsburgh made particular use of the metaphoric creativity technique described above. The problem-solving process led to the creation of hybrid software combining scientific, architectural and engineering visualization techniques. David Steich, a Doctoral Candidate in Electrical Engineering at Penn State, was commissioned to develop special software that enabled me to create innovative free-form sculpture. This paper explores the process of inventing the software through a detailed analysis of the interaction between an artist and a computer programmer.

Fisher, Rob↗

DOE OSTI2024

Building and Sustaining a Community Resource for Best Practices in Scientific Software: The Story of BSSw.io

The development of scientific software—a cornerstone of long-term collaboration and scientific progress—parallels the development of other types of software but still poses distinct challenges, especially in high-performance computing. Although web searches yield numerous resources on software engineering, there is still a scarcity specifically for scientific software development. Here, this article introduces the Better Scientific Software site (https://bssw.io), a platform that hosts a community of researchers, developers, and practitioners who share their experiences and insights on scientific software development. Since 2017, this collaborative hub has gained traction within the scientific computing community, attracting a growing number of readers and contributors eager to share ideas and elevate their software development practices. In sharing the BSSw.io site’s story, we hope to encourage further growth of the BSSw.io community through both readership and contributors, with a long-term goal of fostering culture change by increasing emphasis on best practices in scientific software.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Good Practices for High-Quality Scientific Computing

Experimental and observational sciences have developed robust practices for conducting experiments, maintaining their instruments, and record keeping for provenance. Computational science has only recently begun to confront the issue of quality of their instrument, the software, and the credibility of their scientific output. Most of the available literature in software engineering relates to enterprise software. While it can inform practices in scientific software, adjustments are usually needed. From time to time quality conscious practitioners have published collections of best practices for scientific software. Here, this article provides one more such list but with updated suggestions, motivated by the need to keep up with the rapid changes in the computing industry.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1993

Introduction to the LaRC central scientific computing complex

The computers and associated equipment that make up the Central Scientific Computing Complex of the Langley Research Center are briefly described. The electronic networks that provide access to the various components of the complex and a number of areas that can be used by Langley and contractors staff for special applications (scientific visualization, image processing, software engineering, and grid generation) are also described. Flight simulation facilities that use the central computers are described. Management of the complex, procedures for its use, and available services and resources are discussed. This document is intended for new users of the complex, for current users who wish to keep appraised of changes, and for visitors who need to understand the role of central scientific computers at Langley.

Shoosmith, John N.↗

DOE OSTI2021

RSE-Ops

If DevOps is the intersection of "Developer" and "Operations," then how does this concept map to high performance computing? The answer is RSE-ops, or the intersection of Research Software Engineering and Operations. Research Software Engineers (RSEs) are the individuals writing code for scientific software, and supporting researchers to use codes on high performance computing systems. RSE-ops, then, generally refers to best practices for development and operations of scientific software, which typically happens in a high performance computing environment. A comparison can be made to Cloud Native Devops, which is a similar term that has emerged around Cloud Native Computing. It refers to the application of DevOps practices to the cloud.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1975

Trajectory, atmosphere, and wind reconstruction from Viking entry measurements

During Mars entry, each Viking Lander will collect and send to earth large quantities of measurement data, both scientific and engineering in nature. Software has been developed to statistically process this and other data in order to reconstruct, for mission support purposes, the entry trajectory, an 'engineering' atmosphere, and a wind profile. Procedures are described for processing limited amounts of the available data in such a manner that the maximum amount of information can be extracted therefrom, consistent with program design, response requirements, and mission operations constraints. Results of observability studies and simulations indicate that accuracy requirements will be met.

Hopper, F. W.↗

NASA NTRS1994

User Interface Technology for Formal Specification Development

Formal specification development and modification are an essential component of the knowledge-based software life cycle. User interface technology is needed to empower end-users to create their own formal specifications. This paper describes the advanced user interface for AMPHION1 a knowledge-based software engineering system that targets scientific subroutine libraries. AMPHION is a generic, domain-independent architecture that is specialized to an application domain through a declarative domain theory. Formal specification development and reuse is made accessible to end-users through an intuitive graphical interface that provides semantic guidance in creating diagrams denoting formal specifications in an application domain. The diagrams also serve to document the specifications. Automatic deductive program synthesis ensures that end-user specifications are correctly implemented. The tables that drive AMPHION's user interface are automatically compiled from a domain theory; portions of the interface can be customized by the end-user. The user interface facilitates formal specification development by hiding syntactic details, such as logical notation. It also turns some of the barriers for end-user specification development associated with strongly typed formal languages into active sources of guidance, without restricting advanced users. The interface is especially suited for specification modification. AMPHION has been applied to the domain of solar system kinematics through the development of a declarative domain theory. Testing over six months with planetary scientists indicates that AMPHION's interactive specification acquisition paradigm enables users to develop, modify, and reuse specifications at least an order of magnitude more rapidly than manual program development.

Lowry, Michael↗

DOE OSTI2020

Better together: Elements of successful scientific software development in a distributed collaborative community

Many scientific disciplines rely on computational methods for data analysis, model generation, and prediction. Implementing these methods is often accomplished by researchers with domain expertise but without formal training in software engineering or computer science. This arrangement has led to underappreciation of sustainability and maintainability of scientific software tools developed in academic environments. Some software tools have avoided this fate, including the scientific library Rosetta. We use this software and its community as a case study to show how modern software development can be accomplished successfully, irrespective of subject area. Rosetta is one of the largest software suites for macromolecular modeling, with 3.1 million lines of code and many state-of-the-art applications. Since the mid 1990s, the software has been developed collaboratively by the RosettaCommons, a community of academics from over 60 institutions worldwide with diverse backgrounds including chemistry, biology, physiology, physics, engineering, mathematics, and computer science. Developing this software suite has provided us with more than two decades of experience in how to effectively develop advanced scientific software in a global community with hundreds of contributors. Here we illustrate the functioning of this development community by addressing technical aspects (like version control, testing, and maintenance), community-building strategies, diversity efforts, software dissemination, and user support. We demonstrate how modern computational research can thrive in a distributed collaborative community. The practices described here are independent of subject area and can be readily adopted by other software development communities

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Software stewardship and advancement of a high-performance computing scientific application: QMCPACK

Here, we provide an overview of the software engineering efforts and their impact in QMCPACK, a production-level ab-initio Quantum Monte Carlo open-source code targeting high-performance computing (HPC) systems. Aspects included are: (i) strategic expansion of continuous integration (CI) targeting CPUs, using GitHub Actions own runners, and NVIDIA and AMD GPUs used in pre-exascale systems, (ii) incremental reduction of memory leaks using sanitizers, (iii) incorporation of Docker containers for CI and reproducibility, and (iv) refactoring efforts to improve maintainability, testing coverage, and memory lifetime management. We quantify the value of these improvements by providing metrics to illustrate the shift towards a predictive, rather than reactive, maintenance approach. Our goal, in documenting the impact of these efforts on QMCPACK, is to contribute to the body of knowledge on the importance of research software engineering (RSE) for the stewardship and advancement of community HPC codes to enable scientific discovery at scale.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1995

Averting Denver Airports on a Chip

As a result of recent advances in software engineering capabilities, we are now in a more stable environment. De-facto hardware and software standards are emerging. Work on software architecture and design patterns signals a consensus on the importance of early system-level design decisions, and agreements on the uses of certain paradigmatic software structures. We now routinely build systems that would have been risky or infeasible a few years ago. Unfortunately, technological developments threaten to destabilize software design again. Systems designed around novel computing and peripheral devices will spark ambitious new projects that will stress current software design and engineering capabilities. Micro-electro-mechanical systems (MEMS) and related technologies provide the physical basis for new systems with the potential to produce this kind of destabilizing effect. One important response to anticipated software engineering and design difficulties is carefully directed engineering-scientific research. Two specific problems meriting substantial research attention are: A lack of sufficient means to build software systems by generating, extending, specializing, and integrating large-scale reusable components; and a lack of adequate computational and analytic tools to extend and aid engineers in maintaining intellectual control over complex software designs.

Sullivan, Kevin J.↗

NASA NTRS1985

Computer graphics and the graphic artist

A centralized computer graphics system is being developed at the NASA Langley Research Center. This system was required to satisfy multiuser needs, ranging from presentation quality graphics prepared by a graphic artist to 16-mm movie simulations generated by engineers and scientists. While the major thrust of the central graphics system was directed toward engineering and scientific applications, hardware and software capabilities to support the graphic artists were integrated into the design. This paper briefly discusses the importance of computer graphics in research; the central graphics system in terms of systems, software, and hardware requirements; the application of computer graphics to graphic arts, discussed in terms of the requirements for a graphic arts workstation; and the problems encountered in applying computer graphics to the graphic arts. The paper concludes by presenting the status of the central graphics system.

Taylor, N. L.↗

NASA NTRS2005

DB90: A Fortran Callable Relational Database Routine for Scientific and Engineering Computer Programs

This report describes a database routine called DB90 which is intended for use with scientific and engineering computer programs. The software is written in the Fortran 90/95 programming language standard with file input and output routines written in the C programming language. These routines should be completely portable to any computing platform and operating system that has Fortran 90/95 and C compilers. DB90 allows a program to supply relation names and up to 5 integer key values to uniquely identify each record of each relation. This permits the user to select records or retrieve data in any desired order.

Wrenn, Gregory A.↗