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NASA NTRS2012

Test Driven Development of Scientific Models

Test-Driven Development (TDD) is a software development process that promises many advantages for developer productivity and has become widely accepted among professional software engineers. As the name suggests, TDD practitioners alternate between writing short automated tests and producing code that passes those tests. Although this overly simplified description will undoubtedly sound prohibitively burdensome to many uninitiated developers, the advent of powerful unit-testing frameworks greatly reduces the effort required to produce and routinely execute suites of tests. By testimony, many developers find TDD to be addicting after only a few days of exposure, and find it unthinkable to return to previous practices. Of course, scientific/technical software differs from other software categories in a number of important respects, but I nonetheless believe that TDD is quite applicable to the development of such software and has the potential to significantly improve programmer productivity and code quality within the scientific community. After a detailed introduction to TDD, I will present the experience within the Software Systems Support Office (SSSO) in applying the technique to various scientific applications. This discussion will emphasize the various direct and indirect benefits as well as some of the difficulties and limitations of the methodology. I will conclude with a brief description of pFUnit, a unit testing framework I co-developed to support test-driven development of parallel Fortran applications.

Clune, Thomas L.↗

NASA NTRS1989

Ground data systems resource allocation process

The Ground Data Systems Resource Allocation Process at the Jet Propulsion Laboratory provides medium- and long-range planning for the use of Deep Space Network and Mission Control and Computing Center resources in support of NASA's deep space missions and Earth-based science. Resources consist of radio antenna complexes and associated data processing and control computer networks. A semi-automated system was developed that allows operations personnel to interactively generate, edit, and revise allocation plans spanning periods of up to ten years (as opposed to only two or three weeks under the manual system) based on the relative merit of mission events. It also enhances scientific data return. A software system known as the Resource Allocation and Planning Helper (RALPH) merges the conventional methods of operations research, rule-based knowledge engineering, and advanced data base structures. RALPH employs a generic, highly modular architecture capable of solving a wide variety of scheduling and resource sequencing problems. The rule-based RALPH system has saved significant labor in resource allocation. Its successful use affirms the importance of establishing and applying event priorities based on scientific merit, and the benefit of continuity in planning provided by knowledge-based engineering. The RALPH system exhibits a strong potential for minimizing development cycles of resource and payload planning systems throughout NASA and the private sector.

Berner, Carol A.↗

DOE OSTI2021

Position Papers for the ASCR Workshop on Reimagining Codesign

On behalf of the Advanced Scientific Computing Research (ASCR) program in the US Department of Energy (DOE) Office of Science, we are organizing a Workshop on Reimagining Codesign (ReCoDe). Codesign is the process of jointly designing interoperating components of a computing system—in particular: applications, algorithms, system software, programming models, and the hardware on which they run. The goal is to maximize the overall performance, efficiency, and other desirable qualities of the system as a whole. Codesign is a standard methodology in the embedded-systems community, where space, power, and cost constraints are commonly pitted against execution speed for a tightly constrained feature set. Over the last decade, the DOE has invested in codesign efforts to foster the development of exascale computing systems for broad classes of scientific and engineering applications. The ReCoDe workshop hopes to explore how scientific applications of interest to the DOE can be accelerated through close interactions with hardware designers and software-stack developers, in which all components adapt to each other’s requirements and constraints. We want to answer the question of what are the key tools and methodologies for accomplishing codesign in today’s computing landscape, and what will be the highest impact targets for meeting DOE’s emerging mission requirements. This workshop aims to bring together DOE, industry, and academia to identify opportunities to build on past codesign successes and identify new areas that are either emerging or that may need reimagining for the future. We want to continue to find opportunities that can be pursued as a joint effort and continue to break down the traditional customer/vendor dichotomy with true partnerships. From this work, DOE will benefit from increased application performance relative to what stock hardware or existing general-purpose roadmaps can provide, and vendors will benefit from expanding their hardware’s capabilities to address needs they might have not otherwise anticipated and thereby create more widespread interest in their products. 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 made during the workshop.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

In Their Shoes: Persona-Based Approaches to Software Quality Practice Incentivization

Many teams struggle to adapt and right-size software engineering best practices for quality assurance to fit their context. Introducing software quality is not usually framed in a way that motivates teams to take action, thus resulting in it becoming a “check the box for compliance” activity instead of a cultural practice that values software quality and the effort to achieve it. When and how can we provide effective incentives for software teams to adopt and integrate meaningful and enduring software quality practices? Here, we explored this question through a persona-based ideation exercise at the 2021 Collegeville Workshop on Scientific Software in which we created three unique personas that represent different scientific software developer perspectives.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Kokkos v.4.0

SAND2023-07883O Kokkos software implements C++ performance portability programming models, tools and math libraries, which enables science and engineering software developers to use single-source codes for a wide range of computer architectures. Kokkos also provides implementations of existing and proposed C++ standard features that support programming model and math libraries that are used for implementing performance-portable scientific and engineering applications. The Kokkos libraries provide algorithms, data structures, and tools to enable high-performance computing developers to write performance-portable code. Capabilities fall into three broad categories: Kokkos Core, Kokkos Kernels, and Kokkos Tools. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗

NASA NTRS2012

Spinoff 2011

Topics include: Bioreactors Drive Advances in Tissue Engineering; Tooling Techniques Enhance Medical Imaging; Ventilator Technologies Sustain Critically Injured Patients; Protein Innovations Advance Drug Treatments, Skin Care; Mass Analyzers Facilitate Research on Addiction; Frameworks Coordinate Scientific Data Management; Cameras Improve Navigation for Pilots, Drivers; Integrated Design Tools Reduce Risk, Cost; Advisory Systems Save Time, Fuel for Airlines; Modeling Programs Increase Aircraft Design Safety; Fly-by-Wire Systems Enable Safer, More Efficient Flight; Modified Fittings Enhance Industrial Safety; Simulation Tools Model Icing for Aircraft Design; Information Systems Coordinate Emergency Management; Imaging Systems Provide Maps for U.S. Soldiers; High-Pressure Systems Suppress Fires in Seconds; Alloy-Enhanced Fans Maintain Fresh Air in Tunnels; Control Algorithms Charge Batteries Faster; Software Programs Derive Measurements from Photographs; Retrofits Convert Gas Vehicles into Hybrids; NASA Missions Inspire Online Video Games; Monitors Track Vital Signs for Fitness and Safety; Thermal Components Boost Performance of HVAC Systems; World Wind Tools Reveal Environmental Change; Analyzers Measure Greenhouse Gasses, Airborne Pollutants; Remediation Technologies Eliminate Contaminants; Receivers Gather Data for Climate, Weather Prediction; Coating Processes Boost Performance of Solar Cells; Analyzers Provide Water Security in Space and on Earth; Catalyst Substrates Remove Contaminants, Produce Fuel; Rocket Engine Innovations Advance Clean Energy; Technologies Render Views of Earth for Virtual Navigation; Content Platforms Meet Data Storage, Retrieval Needs; Tools Ensure Reliability of Critical Software; Electronic Handbooks Simplify Process Management; Software Innovations Speed Scientific Computing; Controller Chips Preserve Microprocessor Function; Nanotube Production Devices Expand Research Capabilities; Custom Machines Advance Composite Manufacturing; Polyimide Foams Offer Superior Insulation; Beam Steering Devices Reduce Payload Weight; Models Support Energy-Saving Microwave Technologies; Materials Advance Chemical Propulsion Technology; and High-Temperature Coatings Offer Energy Savings.

Source record↗

DOE OSTI2026

Reference Hardware and Software Architecture for a Solenoid Pulser for Scientific Instrumentation at the National Ignition Facility

High current, high voltage solenoid pulser power systems for the generation of magnetic fields in a solenoid is not a radical or new concept. Despite being a cornerstone of scientific and weapons research for over 100 years, a commercial off the shelf unit easily configurable for a broad set of applications has yet to appear on the open market. Pulser systems are instead designed for specific target requirements. For gigawatt to terawatt systems, this is unavoidable. For megawatt systems however, many hundreds of thousands of dollars are wasted designing pulser systems from the ground up for clients, when it is possible to simply architect a modular system once that can have its capacitors swapped for many possible target applications. The National Ignition Facility (NIF) at the Lawrence Livermore National Laboratory (LLNL) is one such institution that would benefit from such a system, having bought such pulsers for several imaging systems. Ideally, all such a system would require is only a bachelors-level circuit analysis to find the correct capacitor values, as well as a written procedure to calibrate the software to correctly deliver the voltages required by the application. In this work, systems architecture and software engineering techniques are used to design and analyze such a system. Such a design, it is the hope of this author, will be used in scientific and engineering purposes in the future to build solenoid pulsers at the National Ignition Facility and other institutions to drastically cut development costs of scientific instrumentation.

42 ENGINEERING↗

DOE OSTI2023

Standards, dissemination, and best practices in systems biology

In this study, the reproducibility of scientific research is crucial to the success of the scientific method. Here, we review the current best practices when publishing mechanistic models in systems biology. We recommend, where possible, to use software engineering strategies such as testing, verification, validation, documentation, versioning, iterative development, and continuous integration. In addition, adhering to the Findable, Accessible, Interoperable, and Reusable modeling principles allows other scientists to collaborate and build off of each other’s work. Existing standards such as Systems Biology Markup Language, CellML, or Simulation Experiment Description Markup Language can greatly improve the likelihood that a published model is reproducible, especially if such models are deposited in well-established model repositories. Where models are published in executable programming languages, the source code and their data should be published as open-source in public code repositories together with any documentation and testing code. For complex models, we recommend container-based solutions where any software dependencies and the run-time context can be easily replicated.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2004

Risk Management Implementation Tool

Continuous Risk Management (CM) is a software engineering practice with processes, methods, and tools for managing risk in a project. It provides a controlled environment for practical decision making, in order to assess continually what could go wrong, determine which risk are important to deal with, implement strategies to deal with those risk and assure the measure effectiveness of the implemented strategies. Continuous Risk Management provides many training workshops and courses to teach the staff how to implement risk management to their various experiments and projects. The steps of the CRM process are identification, analysis, planning, tracking, and control. These steps and the various methods and tools that go along with them, identification, and dealing with risk is clear-cut. The office that I worked in was the Risk Management Office (RMO). The RMO at NASA works hard to uphold NASA s mission of exploration and advancement of scientific knowledge and technology by defining and reducing program risk. The RMO is one of the divisions that fall under the Safety and Assurance Directorate (SAAD). I worked under Cynthia Calhoun, Flight Software Systems Engineer. My task was to develop a help screen for the Continuous Risk Management Implementation Tool (RMIT). The Risk Management Implementation Tool will be used by many NASA managers to identify, analyze, track, control, and communicate risks in their programs and projects. The RMIT will provide a means for NASA to continuously assess risks. The goals and purposes for this tool is to provide a simple means to manage risks, be used by program and project managers throughout NASA for managing risk, and to take an aggressive approach to advertise and advocate the use of RMIT at each NASA center.

Wright, Shayla L.↗

DOE OSTI2023

Can the United States Maintain Its Leadership in High-Performance Computing? - A report from the ASCAC Subcommittee on American Competitiveness and Innovation to the ASCR Office

The United States (U.S.) is no longer the unambiguous leader in the vitally important field of high performance computing (HPC). Japan, the European Union (EU), and China have fielded systems that are on par with our fastest supercomputers. The supply chain for everything from semiconductors to scientific software is globally distributed. Yet our economic future and security depend critically on our ability to innovate faster than our competitors, and the speed of innovation depends increasingly on large-scale computational science and engineering and thus HPC. How should the United States respond to this challenge? This report seeks to initiate a new and potentially transformative national discussion on this vital question. The Department of Energy’s (DOE) Advanced Scientific Computing Research (ASCR) program is well-positioned to make informed, targeted decisions about where the United States should cooperate and where it should compete in the global market for scientific exploration and discovery. By setting its sights on problems critical to our nation and the world, by establishing productive new collaborations, and by making strategic investments, ASCR can restore and maintain U.S. scientific leadership in the critical areas described in this report while strengthening our research infrastructure and training a large, diverse cohort of scientists. In doing so, ASCR and its scientists will pave the way for a secure and prosperous future for America. For more than 30 years, the ASCR program has provided the HPC and networking capabilities and expertise needed to support DOE’s mission to advance the national, economic, and energy security of the United States. The program now faces the challenge of developing and deploying the next generation of HPC systems and technologies, as well as supporting the application of HPC and artificial intelligence (AI) technologies to a wide range of scientific and engineering research problems. Through its research and development efforts, the ASCR program must also advance the state of the art in HPC and accelerate the pace of scientific discovery and technological innovation. Fulfilling this promise will require significantly increased investments, as well as innovative policies and programs. This subcommittee is aware that we are making recommendations and calls for action at a time when federal resources are limited. We understand that a wide range of competing priorities must be balanced by the nation’s leaders and that there is a need to leverage resources in new ways and seek efficiencies in facilities and operations. However, we must not let these realities limit our imagination or silence our advocacy. The ASCR program is a key part of the U.S. research infrastructure and an important component of economic growth and U.S. competitiveness. ASCR has a responsibility to pursue its mission, including advanced scientific computing, applications of AI technologies, and the required advanced research facilities, with determination and enthusiasm. To fulfill the scientific enterprise’s responsibility to the nation, the ASCR program must not only develop and publish a clear vision with an associated list of goals, priorities, and recommendations but also demonstrate scientific leadership by consistently securing long-term funding. This will allow the program to build on its achievements to date, to realize its ambitious vision, and to make lasting contributions to the field.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS2012

I/O Performance Characterization of Lustre and NASA Applications on Pleiades

In this paper we study the performance of the Lustre file system using five scientific and engineering applications representative of NASA workload on large-scale supercomputing systems such as NASA s Pleiades. In order to facilitate the collection of Lustre performance metrics, we have developed a software tool that exports a wide variety of client and server-side metrics using SGI's Performance Co-Pilot (PCP), and generates a human readable report on key metrics at the end of a batch job. These performance metrics are (a) amount of data read and written, (b) number of files opened and closed, and (c) remote procedure call (RPC) size distribution (4 KB to 1024 KB, in powers of 2) for I/O operations. RPC size distribution measures the efficiency of the Lustre client and can pinpoint problems such as small write sizes, disk fragmentation, etc. These extracted statistics are useful in determining the I/O pattern of the application and can assist in identifying possible improvements for users applications. Information on the number of file operations enables a scientist to optimize the I/O performance of their applications. Amount of I/O data helps users choose the optimal stripe size and stripe count to enhance I/O performance. In this paper, we demonstrate the usefulness of this tool on Pleiades for five production quality NASA scientific and engineering applications. We compare the latency of read and write operations under Lustre to that with NFS by tracing system calls and signals. We also investigate the read and write policies and study the effect of page cache size on I/O operations. We examine the performance impact of Lustre stripe size and stripe count along with performance evaluation of file per process and single shared file accessed by all the processes for NASA workload using parameterized IOR benchmark.

Saini, Subhash↗

NASA NTRS1983

BASIC Data Manipulation And Display System (BDMADS)

BDMADS, a BASIC Data Manipulation and Display System, is a collection of software programs that run on an Apple II Plus personal computer. BDMADS provides a user-friendly environment for the engineer in which to perform scientific data processing. The computer programs and their use are described. Jet engine performance calculations are used to illustrate the use of BDMADS. Source listings of the BDMADS programs are provided and should permit users to customize the programs for their particular applications.

Szuch, J. R.↗

NASA NTRS1989

Rebuilding the space technology base

NASA's Civil Space Technology Initiative (CSTI) will not only develop novel technologies for space exploration and exploitation, but also take mature technologies into their demonstration phase in earth orbit. In the course of five years, CSTI will pay off in ground- and space-tested hardware, software, processes, methods for low-orbit transport and operation, and fundamental scientific research on the orbital environment. Attention is given to LOX/hydrogen and LOX/hydrocarbon reusable engines, liquid/solid fuel hybrid boosters, and aeroassist flight experiments for the validation of aerobraking with atmospheric friction. Also discussed are advanced scientific sensors, systems autonomy and telerobotics, control of flexible structures, precise segmented reflectors, high-rate high-capacity data handling, and advanced nuclear power systems.

Povinelli, Frederick P.↗

NASA NTRS1996

Project Galileo at Jupiter

Galileo made a highly successful arrival at Jupiter on December 7, 1995. The Galileo Atmospheric Entry Probe transmitted the first-ever direct measurements of an outer planet to the Orbiter mothership for nearly one hour while decsending to a pressure depth of 23 bar-far beyond the 10 bar mission requirements...This paper will summarize: 1) the Probe mission results, both engineering and scientific, 2) the problems with the Orbiter tape recorder and its recovery, 3) the Orbiter engineering operations including the loading and performance of the new flight software, and 4) early science results from the arrival and first two orbits and Ganymede encounters. Overall, mission status and the forecast for the remainder of the Orbiter's two-year primary mission will also be provided.

Galileo↗

NASA NTRS2003

Generic Divide and Conquer Internet-Based Computing

The growth of Internet-based applications and the proliferation of networking technologies have been transforming traditional commercial application areas as well as computer and computational sciences and engineering. This growth stimulates the exploration of Peer to Peer (P2P) software technologies that can open new research and application opportunities not only for the commercial world, but also for the scientific and high-performance computing applications community. The general goal of this project is to achieve better understanding of the transition to Internet-based high-performance computing and to develop solutions for some of the technical challenges of this transition. In particular, we are interested in creating long-term motivation for end users to provide their idle processor time to support computationally intensive tasks. We believe that a practical P2P architecture should provide useful service to both clients with high-performance computing needs and contributors of lower-end computing resources. To achieve this, we are designing dual -service architecture for P2P high-performance divide-and conquer computing; we are also experimenting with a prototype implementation. Our proposed architecture incorporates a master server, utilizes dual satellite servers, and operates on the Internet in a dynamically changing large configuration of lower-end nodes provided by volunteer contributors. A dual satellite server comprises a high-performance computing engine and a lower-end contributor service engine. The computing engine provides generic support for divide and conquer computations. The service engine is intended to provide free useful HTTP-based services to contributors of lower-end computing resources. Our proposed architecture is complementary to and accessible from computational grids, such as Globus, Legion, and Condor. Grids provide remote access to existing higher-end computing resources; in contrast, our goal is to utilize idle processor time of lower-end Internet nodes. Our project is focused on a generic divide and conquer paradigm and on mobile applications of this paradigm that can operate on a loose and ever changing pool of lower-end Internet nodes.

Follen, Gregory J.↗

NASA NTRS1994

A software architecture for multidisciplinary applications: Integrating task and data parallelism

Data parallel languages such as Vienna Fortran and HPF can be successfully applied to a wide range of numerical applications. However, many advanced scientific and engineering applications are of a multidisciplinary and heterogeneous nature and thus do not fit well into the data parallel paradigm. In this paper we present new Fortran 90 language extensions to fill this gap. Tasks can be spawned as asynchronous activities in a homogeneous or heterogeneous computing environment; they interact by sharing access to Shared Data Abstractions (SDA's). SDA's are an extension of Fortran 90 modules, representing a pool of common data, together with a set of Methods for controlled access to these data and a mechanism for providing persistent storage. Our language supports the integration of data and task parallelism as well as nested task parallelism and thus can be used to express multidisciplinary applications in a natural and efficient way.

Chapman, Barbara↗

NASA NTRS2009

Virtual Planetary Analysis Environment for Remote Science

All of the data for NASA's current planetary missions and most data for field experiments are collected via orbiting spacecraft, aircraft, and robotic explorers. Mission scientists are unable to employ traditional field methods when operating remotely. We have developed a virtual exploration tool for remote sites with data analysis capabilities that extend human perception quantitatively and qualitatively. Scientists and mission engineers can use it to explore a realistic representation of a remote site. It also provides software tools to "touch" and "measure" remote sites with an immediacy that boosts scientific productivity and is essential for mission operations.

Keely, Leslie↗

NASA NTRS1988

Goldstone solar system radar

Planning, direction, experimental design, and coordination of data-acquisition and engineering activities in support of all Goldstone planetary radar astronomy were performed. This work demands familiarity with the various components of a planetary radar telescope (transmitter, receiver, antenna, computer hardware and software) as well as knowledge of how the entire system must function as a cohesive unit to meet the particular scientific objectives at hand in a given observation. Support radar data-processing facilities, currently being used for virtually all Goldstone data reduction includes: a VAX 11/780 computer system, an FPS 5210 array processor, terminals, tape drives, and image-display devices, as well as a large body of data-reduction software to accommodate the variety of data-acquisition formats and strategems. Successful 113-cm radar observation of Callisto and the near-Earth asteroid 1981 Midas and Goldstone/VLA radar observations of Saturn's rings were obtained. Quick-look verification programs from data taken with phase-coded cw (i.e., ranging) waveforms, applicable to Venus, the Moon, and small bodies were completed. Definition of scientific and engineering requirements on instrument performance, radar system configuration, and personnel, for all 1988 Goldstone radar investigations was accomplished.

Jurgens, Raymond F.↗