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At least 307 records · Page 17

ExaWorks: Workflows for Exascale

Exascale computers will offer transformative capabilities to combine data-driven and learning-based approaches with traditional simulation applications to accelerate scientific discovery and insight. These software combinations and integrations, however, are difficult to achieve due to challenges of coordination and deployment of heterogeneous software components on diverse and massive platforms. We present the ExaWorks project, which can address many of these challenges: ExaWorks is leading a co-design process to create a workflow Software Development Toolkit (SDK) consisting of a wide range of workflow management tools that can be composed and interoperate through common interfaces. We describe the initial set of tools and interfaces supported by the SDK, efforts to make them easier to apply to complex science challenges, and examples of their application to exemplar cases. Furthermore, we discuss how our project is working with the workflows community, large computing facilities as well as HPC platform vendors to sustainably address the requirements of workflows at the exascale.

97 MATHEMATICS AND COMPUTING↗

VIPRE: A Tool Aiding the Design for Entry Probe Missions

Exploring planetary atmospheres uncovers important information for how our solar system formed and evolved. While remote sensing is extensively used, some crucial observations require in-situ measurements by an atmospheric probe. Given their scientific importance, probe missions to Saturn, Uranus and Neptune are considered for the coming decades. In anticipation of future probe missions, the software tool VIPRE was developed as proof-of-concept to facilitate selection of probe entry locations. Currently, there is no analytical way to identify which interplanetary trajectory from thousands of feasible launch opportunities is optimal for a considered mission concept. The search and decision process for that solution is complex and relies on the intuition of mission designers, who focus on a subset of trajectories to make the trade space manageable. The idea of VIPRE is to (1) generate a multi-dimensional data cube showing relevant engineering and science parameters simultaneously for thousands of trajectories, and (2) visualize the data for all entry sites over the body's envelope. VIPRE lays the foundation to make the data available for browsing in a 3-D visualization to identify the best family of solutions for a given mission. The paper introduces the validated and verified core algorithms of VIPRE, published on GitHub. VIPRE serves as a basic framework to be used and extended for different purposes. The paper presents the motivation for the development and algorithms. It explains the computation and data visualization strategy, and gives a list of suggested functionalities to extend and further develop VIPRE to fully leverage its potential.

Ice Giants↗

Experiences Readying Applications for Exascale

The advent of Exascale computing invites an assessment of existing best practices for developing application readiness on the world's largest supercomputers. This work details observations from the last four years in preparing scientific applications to run on the Oak Ridge Leadership Computing Facility's (OLCF) Frontier system. This paper addresses a range of topics in software including programmability, tuning, and portability considerations that are key to moving applications from existing systems to future installations. A set of representative workloads provides case studies for general system and software testing. We evaluate the use of early access systems for development across several generations of hardware. Finally, we discuss how best practices were identified and disseminated to the community through a wide range of activities including user-guides and trainings. We conclude with recommendations for ensuring application readiness on future leadership computing systems.

exascale↗

Experiences readying applications for Exascale

The advent of Exascale computing invites an assessment of existing best practices for developing application readiness on the world's largest supercomputers. This work details observations from the last four years in preparing scientific applications to run on the Oak Ridge Leadership Computing Facility's (OLCF) Frontier system. This paper addresses a range of topics in software including programmability, tuning, and portability considerations that are key to moving applications from existing systems to future installations. A set of representative workloads provides case studies for general system and software testing. We evaluate the use of early access systems for development across several generations of hardware. Finally, we discuss how best practices were identified and disseminated to the community through a wide range of activities including user-guides and trainings. We conclude with recommendations for ensuring application readiness on future leadership computing systems.

Gottiparthi, Kalyan↗

Automated Reuse of Scientific Subroutine Libraries through Deductive Synthesis

Systematic software construction offers the potential of elevating software engineering from an art-form to an engineering discipline. The desired result is more predictable software development leading to better quality and more maintainable software. However, the overhead costs associated with the formalisms, mathematics, and methods of systematic software construction have largely precluded their adoption in real-world software development. In fact, many mainstream software development organizations, such as Microsoft, still maintain a predominantly oral culture for software development projects; which is far removed from a formalism-based culture for software development. An exception is the limited domain of safety-critical software, where the high-assuiance inherent in systematic software construction justifies the additional cost. We believe that systematic software construction will only be adopted by mainstream software development organization when the overhead costs have been greatly reduced. Two approaches to cost mitigation are reuse (amortizing costs over many applications) and automation. For the last four years, NASA Ames has funded the Amphion project, whose objective is to automate software reuse through techniques from systematic software construction. In particular, deductive program synthesis (i.e., program extraction from proofs) is used to derive a composition of software components (e.g., subroutines) that correctly implements a specification. The construction of reuse libraries of software components is the standard software engineering solution for improving software development productivity and quality.

Lowry, Michael R.↗

Tech-X contributions to the Center for Tokamak Transients (CTTS) Scientific Discovery through Advanced Computing (SciDAC) project (Final Report)

The Center for Tokamak Transients Simulations (CTTS) consists of computational plasma physicists, computer scientists, and applied mathematicians who are together developing and applying simulation software to improve our understanding of and ability to predict and control transient events in tokamak discharges, particularly those that lead to violent disruptions. We have major simulation activities concerning disruptions that are caused by violating ideal MHD stability criteria, vertical displacement events, resistive wall modes, and tearing modes. We are performing comprehensive modeling of disruption mitigation techniques, particularly by shattered pellet injection (SPI). The Center is built around two mature extended MHD codes: NIMROD and M3D-C1. These codes are being extended in a number of ways as required by the demands of disruption modeling, and are being optimized to work well for larger problem size and modern computer architectures as required to model tokamak plasmas with realistic parameters over the required timescales. The codes will be coupled to the FronTier code for state-of-the-art modeling of SPI. Validation with experimental data on DIII-D, NSTX, and JET is being facilitated by rigorous uncertainty quantification (UQ). The high-level objectives of the center are to: (1) Develop better understanding and improved predictive capability of when crossing a linear stability boundary will likely lead to a disruption, (2) Provide a tool for calculating vessel forces, both axisymmetric and non-axisymmetric, for worst case VDE and other disruptions in tokamaks, (3) Develop increased understanding and improved predictive capability for locked mode disruptions and how best to avoid them, (4) Develop, verify, and validate 3D models for disruption mitigation by shattered pellets that can be used to design and optimize a system for future tokamaks, and (5) Increase the efficiency and scalability of the M3D-C1 and NIMROD codes so that they can model disruptions in ITER scale devices using the most powerful DOE HPC hardware, and (6) Demonstrate code-coupling via FronTier coupling with NIMROD and M3D-C1 and by interfacing these codes within a WDM framework.

97 MATHEMATICS AND COMPUTING↗

The preparation of the measurements at the PDS at the Padova Observatory: Report on an experience with the development of an astronomical data base environment

Some software facilities used mainly for information retrieval and analysis at the Padova-Asiago Observatory are discussed. These facilities help guest and resident astronomers to make easier the preparation of plate measurements. The problems connected with the creation, use and management of a data base in a scientific (astronomical) environment are reviewed on the basis of the experience gathered during the last three years. The development plan of the user session environment and its possible applications in a computer network are briefly sketched.

Benacchio, L.↗

Nimbus/TOMS Science Data Operations Support

Projected goals include the following: (1) Participate in and provide analysis of laboratory and in-flight calibration of LTV sensors used for space observations of backscattered LTV radiation; (2) Provide support to the TOMS Science Operations Center, including generating instrument command lists and analysis of TOMS health and safety data; (3) Develop and maintain software and algorithms designed to capture and process raw spacecraft and instrument data, convert the instrument output into measured radiance and irradiances, and produce scientifically valid products; (4) Process the TOMS data into Level 1, Level 2, and Level 3 data products; (5) Provide analysis of the science data products in support of NASA GSFC Code 916's research.

Source record↗

Nimbus/TOMS Science Data Operations Support

1. Participate in and provide analysis of laboratory and in-flight calibration of UV sensors used for space observations of backscattered UV radiation. 2. Provide support to the TOMS Science Operations Center, including generating instrument command lists and analysis of TOMS health and safety data. 3. Develop and maintain software and algorithms designed to capture and process raw spacecraft and instrument data, convert the instrument output into measured radiance and irradiances, and produce scientifically valid products. 4. Process the TOMS data into Level 1, Level 2, and Level 3 data products. 5. Provide analysis of the science data products in support of NASA GSFC Code 916's research.

Childs, Jeff↗

Autonomous Multi-Sensor Coordination: The Science Goal Monitor

Many dramatic earth phenomena are dynamic and coupled. In order to fully understand them, we need to obtain timely coordinated multi-sensor observations from widely dispersed instruments. Such a dynamic observing system must include the ability to Schedule flexibly and react autonomously to sciencehser driven events; Understand higher-level goals of a sciencehser defined campaign; Coordinate various space-based and ground-based resources/sensors effectively and efficiently to achieve goals. In order to capture transient events, such a 'sensor web' system must have an automated reactive capability built into its scientific operations. To do this, we must overcome a number of challenges inherent in infusing autonomy. The Science Goal Monitor (SGM) is a prototype software tool being developed to explore the nature of automation necessary to enable dynamic observing. The tools being developed in SGM improve our ability to autonomously monitor multiple independent sensors and coordinate reactions to better observe dynamic phenomena. The SGM system enables users to specify what to look for and how to react in descriptive rather than technical terms. The system monitors streams of data to identify occurrences of the key events previously specified by the scientisther. When an event occurs, the system autonomously coordinates the execution of the users' desired reactions between different sensors. The information can be used to rapidly respond to a variety of fast temporal events. Investigators will no longer have to rely on after-the-fact data analysis to determine what happened. Our paper describes a series of prototype demonstrations that we have developed using SGM and NASA's Earth Observing-1 (EO-1) satellite and Earth Observing Systems' Aqua/Terra spacecrafts' MODIS instrument. Our demonstrations show the promise of coordinating data from different sources, analyzing the data for a relevant event, autonomously updating and rapidly obtaining a follow-on relevant image. SGM was used to investigate forest fires, floods and volcanic eruptions. We are now identifying new Earth science scenarios that will have more complex SGM reasoning. By developing and testing a prototype in an operational environment, we are also establishing and gathering metrics to gauge the success of automating science campaigns.

Koratkar, Anuradha↗

A Microservices Architecture Toolkit for Interconnected Science Ecosystems

Microservices architecture is a promising approach for developing reusable scientific workflow capabilities for inte- grating diverse resources, such as experimental and observational instruments and advanced computational and data management systems, across many distributed organizations and facilities. In this paper, we describe how the INTERSECT Open Architec- ture leverages federated systems of microservices to construct interconnected science ecosystems, review how the INTERSECT software development kit eases microservice capability develop- ment, and demonstrate the use of such capabilities for deploying an example multi-facility INTERSECT ecosystem.

Brim, Michael↗

Computational Aspects of Data Assimilation and the ESMF

The scientific challenge of developing advanced data assimilation applications is a daunting task. Independently developed components may have incompatible interfaces or may be written in different computer languages. The high-performance computer (HPC) platforms required by numerically intensive Earth system applications are complex, varied, rapidly evolving and multi-part systems themselves. Since the market for high-end platforms is relatively small, there is little robust middleware available to buffer the modeler from the difficulties of HPC programming. To complicate matters further, the collaborations required to develop large Earth system applications often span initiatives, institutions and agencies, involve geoscience, software engineering, and computer science communities, and cross national borders.The Earth System Modeling Framework (ESMF) project is a concerted response to these challenges. Its goal is to increase software reuse, interoperability, ease of use and performance in Earth system models through the use of a common software framework, developed in an open manner by leaders in the modeling community. The ESMF addresses the technical and to some extent the cultural - aspects of Earth system modeling, laying the groundwork for addressing the more difficult scientific aspects, such as the physical compatibility of components, in the future. In this talk we will discuss the general philosophy and architecture of the ESMF, focussing on those capabilities useful for developing advanced data assimilation applications.

daSilva, A.↗

CMaize: Simplifying inter-package modularity from the build up

There is a growing desire for inter-package modularity within the chemistry software community to reuse encapsulated code units across a variety of software packages. Most comprehensive efforts at achieving inter-package modularity will quickly run afoul of a very practical problem, being able to cohesively build the modules. Writing and maintaining build systems has long been an issue for many scientific software packages that rely on compiled languages such as C/C++. The push for inter-package modularity compounds this issue by additionally requiring binary artifacts from disparate developers to interoperate at a binary level. Thankfully, the de facto build tool for C/C++, CMake, is more than capable of supporting the myriad of edge cases that complicate writing robust build systems. Unfortunately, writing and maintaining a robust CMake build system can be a laborious endeavor because CMake provides few abstractions to aid the developer. Further, the need to significantly simplify the process of writing robust CMake-based build systems, especially in inter-package builds, motivated us to write CMaize. In addition to describing the architecture and design of CMaize, the article also demonstrates how CMaize is used in production-level software.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Automation of planetary spacecraft

The development of autonomous spacecraft from 1960 to the present is traced within a framework of the definitions and measures of the level of autonomy. The attainment of milestones in the level of autonomy in spacecraft guidance and control is described in terms of the Mariner, Viking, Voyager, Galileo and Mark II (under development) spacecraft. The constant interplay between the definition of scientific mission goals and available technological capabilities is explored, along with current efforts to implement AI techniques and advanced software in spacecraft to allow reliable functioning in stressful conditions.

Varsi, G.↗

Glenn's Telescience Support Center Provided Around-the-Clock Operations Support for Space Experiments on the International Space Station

NASA Glenn Research Center s Telescience Support Center (TSC) allows researchers on Earth to operate experiments onboard the International Space Station (ISS) and the space shuttles. NASA s continuing investment in the required software, systems, and networks provides distributed ISS ground operations that enable payload developers and scientists to monitor and control their experiments from the Glenn TSC. The quality of scientific and engineering data is enhanced while the long-term operational costs of experiments are reduced because principal investigators and engineering teams can operate their payloads from their home institutions.

Malarik, Diane C.↗

Flight Hardware Fabricated for Combustion Science in Space

NASA Glenn Research Center s Telescience Support Center (TSC) allows researchers on Earth to operate experiments onboard the International Space Station (ISS) and the space shuttles. NASA s continuing investment in the required software, systems, and networks provides distributed ISS ground operations that enable payload developers and scientists to monitor and control their experiments from the Glenn TSC. The quality of scientific and engineering data is enhanced while the long-term operational costs of experiments are reduced because principal investigators and engineering teams can operate their payloads from their home institutions.

OMalley, Terence F.↗

Multi-Platform Avionics Simulator

Multi-Platform Avionics Simulator (MPAvSim) is a software library for development of simulations of avionic hardware. MPAvSim facilitates simulation of interactions between flight software and such avionic peripheral equipment as telecommunication devices, thrusters, pyrotechnic devices, motor controllers, and scientific instruments. MPAvSim focuses on the behavior of avionics as seen by flight software, rather than on performing high-fidelity simulations of dynamics. However, MPAvSim is easily integrable with other programs that do perform such simulations. MPAvSim makes it possible to do real-time partial hardware- in-the-loop simulations. An MPAvSim simulation consists of execution chains (see figure) represented by flow graphs of models, defined here as stateless procedures that do some work. During a simulation, MPAvSim walks the execution chain, running each model in turn. Using MPAvSim, flight software can be run against a spacecraft that is all simulation, all hardware, or part hardware and part simulation. With respect to a specific piece of hardware, either the hardware itself or its simulation can be plugged in without affecting the rest of the system. Thus, flight software can be tested before hardware is available, and as items of hardware become available, they can be substituted for their simulations, with minimal disruption.

Clark, Micah↗