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At least 145 records · Page 8

Towards Test Driven Development for Computational Science with pFUnit

Developers working in Computational Science & Engineering (CSE)/High Performance Computing (HPC) must contend with constant change due to advances in computing technology and science. Test Driven Development (TDD) is a methodology that mitigates software development risks due to change at the cost of adding comprehensive and continuous testing to the development process. Testing frameworks tailored for CSE/HPC, like pFUnit, can lower the barriers to such testing, yet CSE software faces unique constraints foreign to the broader software engineering community. Effective testing of numerical software requires a comprehensive suite of oracles, i.e., use cases with known answers, as well as robust estimates for the unavoidable numerical errors associated with implementation with finite-precision arithmetic. At first glance these concerns often seem exceedingly challenging or even insurmountable for real-world scientific applications. However, we argue that this common perception is incorrect and driven by (1) a conflation between model validation and software verification and (2) the general tendency in the scientific community to develop relatively coarse-grained, large procedures that compound numerous algorithmic steps.We believe TDD can be applied routinely to numerical software if developers pursue fine-grained implementations that permit testing, neatly side-stepping concerns about needing nontrivial oracles as well as the accumulation of errors. We present an example of a successful, complex legacy CSE/HPC code whose development process shares some aspects with TDD, which we contrast with current and potential capabilities. A mix of our proposed methodology and framework support should enable everyday use of TDD by CSE-expert developers.

pFUnit

A Framework for Integrating Quantum Simulation and High Performance Computing

Scientific applications are starting to explore the viability of quantum computing. This exploration typically begins with quantum simulations that can run on existing classical platforms, albeit without the performance advantages of real quantum resources. In the context of high-performance computing (HPC), the incorporation of simulation software can often take advantage of the powerful resources to help scale-up the simulation size. The configuration, installation and operation of these quantum simulation packages on HPC resources can often be rather daunting and increases friction for experimentation by scientific application developers. We describe a framework to help streamline access to quantum simulation software running on HPC resources. This includes an interface for circuit-based quantum computing tasks, as well as the necessary resource management infrastructure to make effective use of the underlying HPC resources. The primary contributions of this work include a classification of different usage models for quantum simulation in an HPC context, a review of the software architecture for our approach and a detailed description of the prototype implementation to experiment with these ideas using two different simulators (TNQVM & NWQ-Sim). We include initial experimental results running on the Frontier supercomputer at the Oak Ridge Leadership Computing Facility (OLCF) using a synthetic workload generated via the SupermarQ quantum benchmarking framework.

Shehata, Amir [ORNL] (ORCID:0000000224531426)

The K9 On-Board Rover Architecture

This paper describes the software architecture of NASA Ames Research Center s K9 rover. The goal of the onboard software architecture team was to develop a modular, flexible framework that would allow both high- and low-level control of the K9 hardware. Examples of low-level control are the simple drive or pan/tilt commands which are handled by the resource managers, and examples of high-level control are the command sequences which are handled by the conditional executive. In between these two control levels are complex behavioral commands which are handled by the pilot, such as drive to goal with obstacle avoidance or visually servo to a target. This paper presents the design of the architecture as of Fall 2000. We describe the state of the architecture implementation as well as its current evolution. An early version of the architecture was used for K9 operations during a dual-rover field experiment conducted by NASA Ames Research Center (ARC) and the Jet Propulsion Laboratory (JPL) from May 14 to May 16, 2000.

Bresina, John L.

Computation of Effective Mechanical Properties and Mechanical Erosion Modeling of TPS Materials

The goal of this presentation is to provide a general overview of the multi-scale modeling formulation to determine if there is additional surface recession in Thermal Protection Systems (TPS) materials as a result of mechanical erosion due to high shear conditions during atmospheric entry. This modeling process is performed at different scales by leveraging two computational frameworks developed at NASA: the Porous Microstructure Analysis (PuMA) software, and the Porous material Analysis Toolbox based on OpenFOAM (PATO). PuMA specializes in computing effective macro-scale material properties by performing material response simulations on 3D digital micro-scale representations of porous micro-structures. The modeling of TPS materials at the micro-scale is essential to understand how they behave as part of a heat shield assembly. The first part of the presentation will detail the implementation of PuMA’s cell-centered finite volume elasticity solver, which allows the computation of macro-scale effective mechanical properties of heterogeneous and anisotropic materials such as fibrous and woven TPS composites. These homogenized mechanical properties are used by PATO’s mechanical erosion model to predict the TPS material’s recession at a larger scale. This work will also provide some examples of multi-scale analysis from the fiber level up to the unit cell. The second part of the presentation will focus on the macro-scale approach to determine if erosion at the heat shield’s surface occurs due to mechanical and thermal loads experienced during atmospheric entry. To accomplish this, a solid mechanics module was integrated within PATO enabling it to model the potential mechanical erosion in three steps: first, after obtaining the effective mechanical properties with PuMA, the implemented stress analysis solver computes the stress and the displacement fields for the TPS material using the wall shear stress tensor, computed using a CFD solver, as boundary conditions; then, regions on the surface where the stress meets the failure criteria are identified; finally, the failed material is removed and the mesh is redistributed accordingly. The outcome is a model capable of predicting the total recession in the material due to surface chemistry and mechanical erosion.

Mechanical Properties

ElementLIBS User's Guide: An operational aid for use and development

Laser-Induced Breakdown Spectroscopy or LIBS is a rapid, in-situ analytical technique where a laser of known energy is pulsed at the surface of an analyte. The laser pulse rapidly heats a localized area to many thousand degrees Kelvin, ablating part of the analyte and turning it into a plasma. As the plasma cools, excited atoms return to a ground state with known emission energies. This emitted energy is captured by various spectrometers and provides a spectrum of the emitted energies and intensities. This spectrum can be analyzed to provide the elemental composition of a sample by using known emission lines and relative abundance. ElementLIBS was developed for the SciAps hand-held LIBS model Z300 but will work with any model that provides a LIBS spectrum of similar resolution. The Z300 has an integrated resolution of 1/30 nm with a range of approximately 180nm – 960nm, providing an output spectrum of 23431 pixels across three spectrometers. These criteria are only provided as a reference, as the software was designed to work with any size spectrum, provided the input file is of the correct format and the models were developed using the same framework. If spectra of varying dimensions are used, the software will fail without warning and unusual events could occur.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

An Automated Method for Identifying Inconsistencies within Diagrammatic Software Requirements Specifications

The development of large-scale, composite software in a geographically distributed environment is an evolutionary process. Often, in such evolving systems, striving for consistency is complicated by many factors, because development participants have various locations, skills, responsibilities, roles, opinions, languages, terminology and different degrees of abstraction they employ. This naturally leads to many partial specifications or viewpoints. These multiple views on the system being developed usually overlap. From another aspect, these multiple views give rise to the potential for inconsistency. Existing CASE tools do not efficiently manage inconsistencies in distributed development environment for a large-scale project. Based on the ViewPoints framework the WHERE (Web-Based Hypertext Environment for requirements Evolution) toolkit aims to tackle inconsistency management issues within geographically distributed software development projects. Consequently, WHERE project helps make more robust software and support software assurance process. The long term goal of WHERE tools aims to the inconsistency analysis and management in requirements specifications. A framework based on Graph Grammar theory and TCMJAVA toolkit is proposed to detect inconsistencies among viewpoints. This systematic approach uses three basic operations (UNION, DIFFERENCE, INTERSECTION) to study the static behaviors of graphic and tabular notations. From these operations, subgraphs Query, Selection, Merge, Replacement operations can be derived. This approach uses graph PRODUCTIONS (rewriting rules) to study the dynamic transformations of graphs. We discuss the feasibility of implementation these operations. Also, We present the process of porting original TCM (Toolkit for Conceptual Modeling) project from C++ to Java programming language in this thesis. A scenario based on NASA International Space Station Specification is discussed to show the applicability of our approach. Finally, conclusion and future work about inconsistency management issues in WHERE project will be summarized.

Zhang, Zhong

New developments and verification of fusion blanket simulation capabilities in the MOOSE framework

Multiphysics modeling capabilities have a crucial role to play in the accelerated deployment of fusion energy. To that end, we developed new multiphysics fusion blanket simulation capabilities in the Multiphysics Object-Oriented Simulation Environment (MOOSE). Firstly, we expanded on the existing capabilities of the previously published work, by coupling 3D tritium transport modeling capabilities using the Tritium Migration Analysis Program, version 8 (TMAP8) to an existing tool including thermal hydraulics, fully three-dimensional (3D) heat transfer, and loosely coupled neutronics analysis. Secondly, we performed a thorough verification of the new capabilities and increased testing code coverage to meet MOOSE’s software quality standards. The MOOSE framework follows a strict software quality assurance plan to be Nuclear Quality Assurance, Level 1 compliant. The new multiphysics fusion blanket simulation capabilities are now held to the same standard. Thirdly, to demonstrate MOOSE’s new fusion blanket modeling capabilities, we performed a fully integrated, multiphysics simulation of a 3D solid ceramic breeder blanket design. This proof-of-concept simulation provides the temperature and tritium distribution across the blanket. In conclusion, the combined efforts towards software quality and the development of multiphysics coupling capabilities provide an effective and reliable framework for modeling solid ceramic fusion blankets using MOOSE.

modeling and simulation

A new simulation model building process for use in dynamic systems integration research

A framework to build simulation models for aircraft dynamic systems integration is described. The objective of the framework is increased simulation model fidelity and reduced time required to develop and modify these models. The equations of motion for an elastic aircraft and their impact on the framework are discussed in broad terms. A software tool which automatically generates FORTRAN routines for tabular data lookups, the language used to develop a simulation model, and the structures for passing information into a simulation are discussed. A simulation variable nomenclature is presented. The framework has been applied to build an open-loop F/A-18 simulation model. This example model is used to illustrate model reduction issues. Current deficiencies in the framework are identified as areas for future research.

Arbuckle, P. Douglas

Rapid Spacecraft Payload Development: In-Orbit Demonstration of Flight Software Reuse, Scalability, and Dependability

As space mission design trends towards shared, multi-mission platforms and high-performance onboard computing architectures, the number of spacecraft launched into operation is also steadily rising. Through ridesharing, spacecraft miniaturization, and other cost-reduction measures, the barriers to space are lowering, resulting in compounded growth in the amount of flight software being deployed. To meet the needs of both the growing quantity and evolving nature of spacecraft, flight software design must accordingly adapt to support more efficient development, solutions to computational resource-sharing, and software reusability. This paper focuses on a software payload demonstrating several core technologies that improve the state-of-the-art in these identified areas. Launched into low-earth orbit in January 2022, our software payload was conceived, designed, and delivered in a span of merely two months. It was developed on top of the NASA core Flight System (cFS) framework and the Distributed Spacecraft Autonomy (DSA) Comm cFS application, which translates cFS software bus messages across a Data Distribution Service (DDS) network. The flight software, packaged in Linux container images, was deployed as one of 18 flight applications managed through the Unibap SpaceCloud Framework. The applications were run on a Unibap iX5-102 radiation-tolerant payload computer, hosted on the D-Orbit SCV-004 spacecraft as part of an ESA-sponsored in-orbit technology test. Our payload, referred to as the DSA D-Orbit software, demonstrates the reusability of the DSA Comm app in a substantially different context and purpose as its original mission. Comm’s original design goal was to reliably distribute messages between spacecraft swarms of arbitrary size and dynamic network topology. However, we leverage this same functionality to introduce redundancy and opportunistic parallel data processing in the context of a representative onboard image processing workload. This adaptive mission architecture was enabled in part by the SpaceCloud Framework’s use of container virtualization as the payload integration interface. By using a base container image with common high-level language runtimes and libraries, we were able to rapidly design, develop, and validate our image processing application without many of the technological barriers common to flight software development. We present details the goals, approach, results, and lessons learned through this technology demonstration experiment and contextualize those observations against present and future challenges in spacecraft software development.

computer programming

Multiscale Failure Analysis of Laminated Composite Panels Subjected to Blast Loading Using FEAMAC/Explicit

This preliminary report demonstrates the capabilities of the recently developed software implementation that links the Generalized Method of Cells to explicit finite element analysis by extending a previous development which tied the generalized method of cells to implicit finite elements. The multiscale framework, which uses explicit finite elements at the global-scale and the generalized method of cells at the microscale is detailed. This implementation is suitable for both dynamic mechanics problems and static problems exhibiting drastic and sudden changes in material properties, which often encounter convergence issues with commercial implicit solvers. Progressive failure analysis of stiffened and un-stiffened fiber-reinforced laminates subjected to normal blast pressure loads was performed and is used to demonstrate the capabilities of this framework. The focus of this report is to document the development of the software implementation; thus, no comparison between the results of the models and experimental data is drawn. However, the validity of the results are assessed qualitatively through the observation of failure paths, stress contours, and the distribution of system energies.

Pineda, Evan J.

An Operational Configuration of the ARPS Data Analysis System to Initialize WRF in the NM'S Environmental Modeling System

The Weather Research and Forecasting (WRF) model is the next generation community mesoscale model designed to enhance collaboration between the research and operational sectors. The NM'S as a whole has begun a transition toward WRF as the mesoscale model of choice to use as a tool in making local forecasts. Currently, both the National Weather Service in Melbourne, FL (NWS MLB) and the Spaceflight Meteorology Group (SMG) are running the Advanced Regional Prediction System (AIRPS) Data Analysis System (ADAS) every 15 minutes over the Florida peninsula to produce high-resolution diagnostics supporting their daily operations. In addition, the NWS MLB and SMG have used ADAS to provide initial conditions for short-range forecasts from the ARPS numerical weather prediction (NWP) model. Both NM'S MLB and SMG have derived great benefit from the maturity of ADAS, and would like to use ADAS for providing initial conditions to WRF. In order to assist in this WRF transition effort, the Applied Meteorology Unit (AMU) was tasked to configure and implement an operational version of WRF that uses output from ADAS for the model initial conditions. Both agencies asked the AMU to develop a framework that allows the ADAS initial conditions to be incorporated into the WRF Environmental Modeling System (EMS) software. Developed by the NM'S Science Operations Officer (S00) Science and Training Resource Center (STRC), the EMS is a complete, full physics, NWP package that incorporates dynamical cores from both the National Center for Atmospheric Research's Advanced Research WRF (ARW) and the National Centers for Environmental Prediction's Non-Hydrostatic Mesoscale Model (NMM) into a single end-to-end forecasting system. The EMS performs nearly all pre- and postprocessing and can be run automatically to obtain external grid data for WRF boundary conditions, run the model, and convert the data into a format that can be readily viewed within the Advanced Weather Interactive Processing System. The EMS has also incorporated the WRF Standard Initialization (SI) graphical user interface (GUT), which allows the user to set up the domain, dynamical core, resolution, etc., with ease. In addition to the SI GUT, the EMS contains a number of configuration files with extensive documentation to help the user select the appropriate input parameters for model physics schemes, integration timesteps, etc. Therefore, because of its streamlined capability, it is quite advantageous to configure ADAS to provide initial condition data to the EMS software. One of the biggest potential benefits of configuring ADAS for ingest into the EMS is that the analyses could be used to initialize either the ARW or NMM. Currently, the ARPS/ADAS software has a conversion routine only for the ARW dynamical core. However, since the NIvIM runs about 2.5 times faster than the ARW, it is quite advantageous to be able to run an ADAS/NMM configuration operationally due to the increased efficiency.

Case, Jonathan

Statechart Analysis with Symbolic PathFinder

We report here on our on-going work that addresses the automated analysis and test case generation for software systems modeled using multiple Statechart formalisms. The work is motivated by large programs such as NASA Exploration, that involve multiple systems that interact via safety-critical protocols and are designed with different Statechart variants. To verify these safety-critical systems, we have developed Polyglot, a framework for modeling and analysis of model-based software written using different Statechart formalisms. Polyglot uses a common intermediate representation with customizable Statechart semantics and leverages the analysis and test generation capabilities of the Symbolic PathFinder tool. Polyglot is used as follows: First, the structure of the Statechart model (expressed in Matlab Stateflow or Rational Rhapsody) is translated into a common intermediate representation (IR). The IR is then translated into Java code that represents the structure of the model. The semantics are provided as "pluggable" modules.

Pasareanu, Corina S.

Software Management System

Transportable Applications Environment (TAE), a Goddard Space Flight Center developed software management system, organizes multiple computer programs by providing user interface development tools and a stable framework for a system. It binds applications into an easily operated whole and interfaces with users. The program also lowers system development and software conversion costs by providing software and structures for commonly recurring user requirements. Originally developed to support image processing and remote sensing applications, TAE is now used in scientific analysis and defense systems, and as a teaching tool by private industry and government. A support office assists users. New development areas are anticipated.

Source record

Atomate2: modular workflows for materials science

High-throughput density functional theory (DFT) calculations have become a vital element of computational materials science, enabling materials screening, property database generation, and training of “universal” machine learning models. While several software frameworks have emerged to support these computational efforts, new developments such as machine learned force fields have increased demands for more flexible and programmable workflow solutions. This manuscript introduces atomate2, a comprehensive evolution of our original atomate framework, designed to address existing limitations in computational materials research infrastructure. Key features include the support for multiple electronic structure packages and interoperability between them, along with generalizable workflows that can be written in an abstract form irrespective of the DFT package or machine learning force field used within them. Our hope is that atomate2's improved usability and extensibility can reduce technical barriers for high-throughput research workflows and facilitate the rapid adoption of emerging methods in computational material science.

97 MATHEMATICS AND COMPUTING

Evaluating Network Performance of Containerized Test Framework for Distributed Space Systems

Distributed space systems are a mission architecture consisting of multiple spacecraft as a cohesive system which provide multipoint sampling, increased mission coverage, or improved sample resolution, while reducing mission risk through redundancy. To fully realize the potential of these systems, eventually scaling to hundreds or thousands of spacecraft, distributed space systems need to be operated as a single entity, which will enable a variety of novel scientific space missions. The Distributed Spacecraft Autonomy (DSA) project is a software project which aims to mature the technology needed for those systems, namely autonomous decision-making and swarm networking. The DSA project leverages a containerized swarm test framework to simulate spacecraft software, which can identify emergent behavior early in development. Container virtualization allows distributed spacecraft systems to be simulated entirely in software on a single computer, avoiding the overhead associated with conventional approaches like hardware facsimiles and virtual machines. For this approach to be effective, the simulated system behavior must not be artificially influenced by the swarm test framework itself. To address this, we present a series of benchmarks to quantify virtual network bandwidth available on a single-host computer and contextualize this against the network and application behavior of the DSA swarm test framework.

Distributed Spacecraft Autonomy

Diagnosis and Prognosis of Weapon Systems

The Prognostics Framework is a set of software tools with an open architecture that affords a capability to integrate various prognostic software mechanisms and to provide information for operational and battlefield decision-making and logistical planning pertaining to weapon systems. The Prognostics NASA Tech Briefs, February 2005 17 Framework is also a system-level health -management software system that (1) receives data from performance- monitoring and built-in-test sensors and from other prognostic software and (2) processes the received data to derive a diagnosis and a prognosis for a weapon system. This software relates the diagnostic and prognostic information to the overall health of the system, to the ability of the system to perform specific missions, and to needed maintenance actions and maintenance resources. In the development of the Prognostics Framework, effort was focused primarily on extending previously developed model-based diagnostic-reasoning software to add prognostic reasoning capabilities, including capabilities to perform statistical analyses and to utilize information pertaining to deterioration of parts, failure modes, time sensitivity of measured values, mission criticality, historical data, and trends in measurement data. As thus extended, the software offers an overall health-monitoring capability.

Nolan, Mary

Damage tolerance in filament-wound graphite/epoxy pressure vessels

Graphite/epoxy composites are extensively used in the aerospace and sporting goods industries due to their superior engineering properties compared to those of metals. However, graphite/epoxy is extremely susceptible to impact damage which can cause considerable and sometimes undetected reduction in strength. An inelastic impact model was developed to predict damage due to low-velocity impact. A transient dynamic finite element formulation was used in conjunction with the 3D Tsai-Wu failure criterion to determine and incorporate failure in the materials during impact. Material degradation can be adjusted from no degradation to partial degradation to full degradation. The developed software is based on an object-oriented implementation framework called Extensible Implementation Framework for Finite Elements (EIFFE).

Simon, William E.

Robust Vision-based Multi-spacecraft Guidance Navigation and Control using CNN-based Pose Estimation

In this paper, we present an end-to-end simulation framework for tracking an uncooperative Target spacecraft in Low Earth Orbit using a CubeSat-class Ego spacecraft outfitted with a camera. Currently, capturing high-fidelity realistic images in space for this scenario is difficult and exorbitantly expensive. Therefore, we developed a framework to simulate the spacecraft orbits in Basilisk software and generate high-fidelity realistic images of spacecraft in Unreal Engine, including the effects from Sun, Earth, Moon and stars. The Ego spacecraft uses cameras to capture images of the uncooperative Target and estimates its position and attitude using a CNN based 6DOF pose estimation pipeline, eliminating need for large SWAP-C(Size, Weight, Power and Cost) sensors like LIDAR or reliance on inter-spacecraft communication, This CNN, which is motivated by ESA’s Pose Estimation challenge of 2019, is trained using simulated data from our end-to-end simulation framework. We compare the performance of two distinct CNNbased algorithms for pose estimation along a nominal trajectory. In presence of non-Gaussian modeling uncertainties, the statedependent estimation error is characterized with a quadratic upper-bound. The quadratically-bounded error can be used by a robust controller to maneuver

Rahmani, Amir