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At least 883 records · Page 49

Ground System Architectures Workshop GMSEC SERVICES SUITE (GSS): an Agile Development Story

The GMSEC (Goddard Mission Services Evolution Center) Services Suite (GSS) is a collection of tools and software services along with a robust customizable web-based portal that enables the user to capture, monitor, report, and analyze system-wide GMSEC data. Given our plug-and-play architecture and the needs for rapid system development, we opted to follow the Scrum Agile Methodology for software development. Being one of the first few projects to implement the Agile methodology at NASA GSFC, in this presentation we will present our approaches, tools, successes, and challenges in implementing this methodology. The GMSEC architecture provides a scalable, extensible ground and flight system for existing and future missions. GMSEC comes with a robust Application Programming Interface (GMSEC API) and a core set of Java-based GMSEC components that facilitate the development of a GMSEC-based ground system. Over the past few years, we have seen an upbeat in the number of customers who are moving from a native desktop application environment to a web based environment particularly for data monitoring and analysis. We also see a need to provide separation of the business logic from the GUI display for our Java-based components and also to consolidate all the GUI displays into one interface. This combination of separation and consolidation brings immediate value to a GMSEC-based ground system through increased ease of data access via a uniform interface, built-in security measures, centralized configuration management, and ease of feature extensibility.

Software Development/Agile↗

Automating the parallel processing of fluid and structural dynamics calculations

The NASA Lewis Research Center is actively involved in the development of expert system technology to assist users in applying parallel processing to computational fluid and structural dynamic analysis. The goal of this effort is to eliminate the necessity for the physical scientist to become a computer scientist in order to effectively use the computer as a research tool. Programming and operating software utilities have previously been developed to solve systems of ordinary nonlinear differential equations on parallel scalar processors. Current efforts are aimed at extending these capabilities to systems of partial differential equations, that describe the complex behavior of fluids and structures within aerospace propulsion systems. This paper presents some important considerations in the redesign, in particular, the need for algorithms and software utilities that can automatically identify data flow patterns in the application program and partition and allocate calculations to the parallel processors. A library-oriented multiprocessing concept for integrating the hardware and software functions is described.

Arpasi, Dale J.↗

Automating the parallel processing of fluid and structural dynamics calculations

The NASA Lewis Research Center is actively involved in the development of expert system technology to assist users in applying parallel processing to computational fluid and structural dynamic analysis. The goal of this effort is to eliminate the necessity for the physical scientist to become a computer scientist in order to effectively use the computer as a research tool. Programming and operating software utilities have previously been developed to solve systems of ordinary nonlinear differential equations on parallel scalar processors. Current efforts are aimed at extending these capabilties to systems of partial differential equations, that describe the complex behavior of fluids and structures within aerospace propulsion systems. This paper presents some important considerations in the redesign, in particular, the need for algorithms and software utilities that can automatically identify data flow patterns in the application program and partition and allocate calculations to the parallel processors. A library-oriented multiprocessing concept for integrating the hardware and software functions is described.

Arpasi, Dale J.↗

Systems Architecture for Fully Autonomous Space Missions

The NASA Goddard Space Flight Center is working to develop a revolutionary new system architecture concept in support of fully autonomous missions. As part of GSFC's contribution to the New Millenium Program (NMP) Space Technology 7 Autonomy and on-Board Processing (ST7-A) Concept Definition Study, the system incorporates the latest commercial Internet and software development ideas and extends them into NASA ground and space segment architectures. The unique challenges facing the exploration of remote and inaccessible locales and the need to incorporate corresponding autonomy technologies within reasonable cost necessitate the re-thinking of traditional mission architectures. A measure of the resiliency of this architecture in its application to a broad range of future autonomy missions will depend on its effectiveness in leveraging from commercial tools developed for the personal computer and Internet markets. Specialized test stations and supporting software come to past as spacecraft take advantage of the extensive tools and research investments of billion-dollar commercial ventures. The projected improvements of the Internet and supporting infrastructure go hand-in-hand with market pressures that provide continuity in research. By taking advantage of consumer-oriented methods and processes, space-flight missions will continue to leverage on investments tailored to provide better services at reduced cost. The application of ground and space segment architectures each based on Local Area Networks (LAN), the use of personal computer-based operating systems, and the execution of activities and operations through a Wide Area Network (Internet) enable a revolution in spacecraft mission formulation, implementation, and flight operations. Hardware and software design, development, integration, test, and flight operations are all tied-in closely to a common thread that enables the smooth transitioning between program phases. The application of commercial software development techniques lays the foundation for delivery of product-oriented flight software modules and models. Software can then be readily applied to support the on-board autonomy required for mission self-management. An on-board intelligent system, based on advanced scripting languages, facilitates the mission autonomy required to offload ground system resources, and enables the spacecraft to manage itself safely through an efficient and effective process of reactive planning, science data acquisition, synthesis, and transmission to the ground. Autonomous ground systems in turn coordinate and support schedule contact times with the spacecraft. Specific autonomy software modules on-board include mission and science planners, instrument and subsystem control, and fault tolerance response software, all residing within a distributed computing environment supported through the flight LAN. Autonomy also requires the minimization of human intervention between users on the ground and the spacecraft, and hence calls for the elimination of the traditional operations control center as a funnel for data manipulation. Basic goal-oriented commands are sent directly from the user to the spacecraft through a distributed internet-based payload operations "center". The ensuing architecture calls for the use of spacecraft as point extensions on the Internet. This paper will detail the system architecture implementation chosen to enable cost-effective autonomous missions with applicability to a broad range of conditions. It will define the structure needed for implementation of such missions, including software and hardware infrastructures. The overall architecture is then laid out as a common thread in the mission life cycle from formulation through implementation and flight operations.

Esper, Jamie↗

CMS Full Simulation for Run 3

We report the status of the CMS full simulation for Run 3. During the long shutdown of the LHC a significant update has been introduced to the CMS code for simulation. The CMS geometry description is reviewed. Several important modifications were needed. CMS detector description software is migrated to the DD4Hep community developed tool. We will report on our experience obtained during the process of this migration. Geant4 10.7 is the CMS choice for Run 3 simulation productions. We will discuss arguments for this choice, the strategy of adaptation of a new Geant4 version, and will report on the physics performance of the CMS simulation. A special Geant4 Physics List configuration FTFP_BERT_EMM will be described, which provides a compromise between simulation accuracy and CPU performance. A significant fraction of time for simulation of CMS events is spent on tracking of charged particles in a magnetic field. In the CMS simulation a dynamic choice of Geant4 parameters for tracking in field is implemented. A new method is introduced into simulation of electromagnetic components of hadronic showers in the electromagnetic calorimeter of CMS. For low-energy electrons and positrons a parametrization of GFlash type is applied. Results of tests of this method will be discussed. In summary, we expect about 25% speedup of the CMS simulation production for Run 3 compared to the Run 2 simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Geant4 Computing Performance Benchmarking and Monitoring

Performance evaluation and analysis of large scale computing applications is essential for optimal use of resources. As detector simulation is one of the most compute intensive tasks and Geant4 is the simulation toolkit most widely used in contemporary high energy physics (HEP) experiments, it is important to monitor Geant4 through its development cycle for changes in computing performance and to identify problems and opportunities for code improvements. All Geant4 development and public releases are being profiled with a set of applications that utilize different input event samples, physics parameters, and detector configurations. Results from multiple benchmarking runs are compared to previous public and development reference releases to monitor CPU and memory usage. Observed changes are evaluated and correlated with code modifications. Besides the full summary of call stack and memory footprint, a detailed call graph analysis is available to Geant4 developers for further analysis. The set of software tools used in the performance evaluation procedure, both in sequential and multi-threaded modes, include FAST, IgProf and Open|Speedshop. In conclusion, the scalability of the CPU time and memory performance in multi-threaded application is evaluated by measuring event throughput and memory gain as a function of the number of threads for selected event samples.

97 MATHEMATICS AND COMPUTING↗

A mass graph-based approach for the identification of modified proteoforms using top-down tandem mass spectra

Motivation: Although proteomics has rapidly developed in the past decade, researchers are still in the early stage of exploring the world of complex proteoforms, which are protein products with various primary structure alterations resulting from gene mutations, alternative splicing, post-translational modifications, and other biological processes. Proteoform identification is essential to mapping proteoforms to their biological functions as well as discovering novel proteoforms and new protein functions. Top-down mass spectrometry is the method of choice for identifying complex proteoforms because it provides a “bird’s eye view” of intact proteoforms. The combinatorial explosion of various alterations on a protein may result in billions of possible proteoforms, making proteoform identification a challenging computational problem. Results: We propose a new data structure, called the mass graph, for efficient representation of proteoforms and design mass graph alignment algorithms. We developed TopMG, a mass graph-based software tool for proteoform identification by top-down mass spectrometry. Experiments on top-down mass spectrometry data sets showed that TopMG outperformed existing methods in identifying complex proteoforms.

Dynamic Programming↗

Statistical Uncertainty of Inhalation Dose Coefficients: Impact of Particle Deposition in ICRP 66 Human Respiratory Tract Model

Inhaled radioactive materials can pose a long-term health concern, as the material can be incorporated into the body’s metabolic pathways and remain in organs and tissues for extended durations. During the retention period, the radioactive material may localize in a source organ and irradiate adjacent target organs and tissues. Distribution of these materials changes over time, requiring biokinetic modeling to evaluate their movement through various tissues and organs. The evolving distribution depends on multiple inputs characterizing the inhaled material, such as particle size and size distribution, particle density, aspect ratio, specific radionuclide, the chemical form, and solubility. In addition, biological parameters such as breathing rate, breathing type (nasal or nasal/oral), respiratory system morphometry, tidal volume, functional residual capacity, and anatomical dead space all influence material transport. These aerosol properties and physiological characteristics of the respiratory tract jointly define a range of initial conditions that influence the time-dependent distribution of radioactive material. To evaluate both uncertainty in the initial conditions of inhalation exposure and the final output (committed effective dose) from biokinetic models, a Python-based software tool, Radiological Exposure Dose Calculator (REDCAL), was developed to propagate uncertainty within the human respiratory tract model. Focusing on deposition fraction uncertainty, the primary objective was to characterize the initial activity distribution across respiratory regions as a function of anticipated particle sizes and distributions. The impact of the deposition fraction uncertainty was propagated to committed effective dose coefficients for selected radionuclides in a companion publication. For each particle size, a lognormal distribution, characterized by its geometric mean as defined within ICRP Publication 66, serves as the basis for introducing uncertainty into the physical processes governing deposition in various lung regions. Finally, this study addresses the deposition process and examines how uncertainty in deposition mechanisms affects activity distribution in the airways, ultimately presenting the expected range and standard deviation of deposited activity as a function of particle size.

International Commission on Radiological Protectio↗

Parallel simulated annealing with embedded machine learning and multifidelity models for reactor core design

This paper presents extensions to a penalty-free, parallel simulated annealing (SA) algorithm for multi-constrained combinatorial optimization with the aim of embedding multi-fidelity physics models into the annealing procedure. The method uses a low-fidelity, quickly executing model for rapid design space exploration and a high-fidelity model for detailed constraint resolution and on-the-fly bias correction. Machine learning models updated within the annealing procedure were used to bridge the gap between the multi-fidelity models, which led to accurate rapid exploration and efficient detailed constraint resolution. A software implementation of the new multi-fidelity optimization methods, called ML-PSA, was demonstrated on a continuous multi-fidelity optimization problem and a constrained combinatorial PWR lattice design problem. These problems demonstrate some of the features, parallel performance characteristics, and extensible nature of the multi-fidelity SA methods. This paper shows that the developed software and procedure are a general optimization tool that can be applied to a wide variety of scientific and engineering design optimization applications. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Bayesian Computational Approaches for Gene Regulation Studies of Bioethanol and Biohydrogen Production. Final Scientific/Technical Report

The project developed mathematical models and first-version software tools for the understanding of gene regulation across multiple related species. The project lays the foundation for understanding how certain alpha-proteobacterial species control their own genes for bioethanol and biohydrogen production, and sets the stage for exploiting bacteria for the production of fuels. Enabling such alternative sources of fuel is a high priority for the Department of Energy and the public.

Newberg, Lee↗

Continuous Security and Configuration Monitoring of HPC Clusters

Continuous security and configuration monitoring of information systems has been a time consuming and laborious task for system administrators at the High Performance Computing (HPC) center. Prior to this project, system administrators had to manually check the settings of thousands of nodes, which required a significant number of hours rendering the old process ineffective and inefficient. This paper explains the application of Splunk Enterprise, a software agent, and a reporting tool in the development of a user application interface to track and report on critical system updates and security compliance status of HPC Clusters. In conjunction with other configuration management systems, the reporting tool is to provide continuous situational awareness to system administrators of the compliance state of information systems. Our approach consisted of the development, testing, and deployment of an agent to collect any arbitrary information across a massively distributed computing center, and organize that information into a human-readable format. Using Splunk Enterprise, this raw data was then gathered into a central repository and indexed for search, analysis, and correlation. Following acquisition and accumulation, the reporting tool generated and presented actionable information by filtering the data according to command line parameters passed at run time. Preliminary data showed results for over six thousand nodes. Further research and expansion of this tool could lead to the development of a series of agents to gather and report critical system parameters. However, in order to make use of the flexibility and resourcefulness of the reporting tool the agent must conform to specifications set forth in this paper. This project has simplified the way system administrators gather, analyze, and report on the configuration and security state of HPC clusters, maintaining ongoing situational awareness. Rather than querying each cluster independently, compliance checking can be managed from one central location.

97 MATHEMATICS AND COMPUTING↗

An Analytical Technology Platform to Identify Symbiotic Interactions Between PGPR and Root Microbiome Members from Biofuel Feedstocks

The goal of this STTR project was to establish a commericially-viable technology platform that can be used to develop formulations of plant growth promoting rhizobacteria (PGPR) that can be used as biofertilizers for improved production of woody biomass. The platform has been designed to screen thousands of different formulations of microorganisms in search for those formulations that best support the growth and survival of PGPR species. The focus of the Phase I project was to provide the existing technology with new capabilities that define its commerical pathway. These goals were to (1) adapt the existing platform for use with Populus isolates and (2) developing a highly-automated image analysis software tool that can rapidly screen large data sets to statistically identify optimized biofertilizer formulations. The project has produced a software routine for this screening and identification need, and has generated preliminary data for use of this approach to identify symbiotic PGPR communities that may be useful for promoting Populus growth.

09 BIOMASS FUELS↗

Materials genome innovation for computational software (magics) center

Functional layered material (LM) architectures will dominate nanomaterials science in this century. We have developed theory, modeling, simulation, and software and data tools that enhance understanding and AI guide synthesis, enable characterization of complex structures, and improve capabilities in the predictive design and growth of LMs. Research at the Center has focused on: Computational synthesis and characterization: AI guided synthesis and experimental synthesis of stacked LMs with tailored properties via optimized chemical vapor deposition (CVD) growth and liquid-phase exfoliation; study defects, edges, grain boundaries, wrinkling of atomic layers and their effects on chemical, mechanical, electrical, and optical properties. Far-from-equilibrium processes: Joint experimental and simulation based probe of electronic processes with NAQMD and ultrafast X-ray free-electron laser (XFEL) and ultrafast electron diffraction (UED) facilities at Stanford. Experimentally validate NAQMD by ultrafast electron diffraction and X-ray spectroscopy studies of structural and excited state dynamics, shape fluctuations, and phonon dynamics. Scalable software: Simulation engines for desktop-to-exascale platforms using low-overhead, linear-scaling QMD algorithms; divide-conquer-recombine NAQMD with electronic excitations; extended-Lagrangian reactive molecular dynamics (RMD), machine learning (ML) based neural-network quantum molecular dynamics (NNQMD), and super-state accelerated molecular dynamics (AMD) and kinetic Monte Carlo codes; thermal and electrical transport software; and design 3D architectures of LMs with desired functionality using scalable software. Distribution of software and data, and training: Software and simulation-experimental data generated within the Center are distributed to the materials science community via Berkeley Materials Project (MP) framework. We have also organized three workshops for software distribution and training at USC (Nov. 2017, Mar. 2018) and Gaithersburg, MD (Nov. 2018) to train researchers, with the last one in focused on underrepresented groups, in collaboration with Howard University which is one of the largest HBCUs. The Center supported a total of 46 personnel and 6 undergraduate students. These include 14 faculty, 11 postdoctoral research associates, 20 graduate research assistants, and mentored 6 undergraduate students. This resulted in the publications of 63 research papers that include 46 publications on Reactive and Quantum Dynamics Simulations, 13 publications on Machine Learning for Quantum Materials, and 4 publications on Quantum Computing.

2D Materials↗

Hydropower Biological Evaluation Toolset Best Practice Guide

Field studies using live fish are necessary for the evaluation of turbine biological performance, but they cannot determine the specific hydraulic conditions or physical stresses experienced by the fish, the locations where deleterious conditions occur, or the specific causes of the biological response. Using the Sensor Fish (SF) sensing technology, this deficiency can be overcome because the SF can be released independently or concurrently with live fish directly into operating infrastructure, and it takes high-frequency measurements of hydraulic conditions such as pressure, acceleration, and rotation acting on a body in situ during downstream passage. The Hydropower Biological Evaluation Tools (HBET; Hou et al. 2018) software package, developed by Pacific Northwest National Laboratory (PNNL), is designed to assemble, organize, and process data collected by the PNNL-developed SF and by live fish. HBET was developed specifically to design SF field studies, process the raw data, and analyze the processed data efficiently and scientifically. Its objectives are to facilitate SF studies focused on characterizing hydraulic conditions and to apply SF data for evaluating the impacts on fish from passage through hydro-structures. HBET allows users to design new studies, analyze data, perform statistical analyses, and evaluate predicted biological responses. It can be used by researchers, turbine designers, hydropower operators, and regulators to evaluate hydro-structures to enhance environmental sustainability in a cost-effective manner.

13 HYDRO ENERGY↗

NAVSPASUR orbital processing for satellite break-up events

Satellite breakups via explosion or collision can instantly increase the trackable orbiting population by up to several hundred objects, temporarily perturbing the routine space surveillance operations at U.S. Space Command (USSPACWCOM) and the Naval Space Surveillance Center (NAVSPASUR). This paper is a survey of some of the procedures and techniques used by NAVSPASUR to respond to such events. First, the overall data flow at NAVSPASUR is described highlighting the places at which human analysts may intervene with special processing. So-called manual intervention is required in a variety of non-nominal situations, including breakups. Second, a description is given of some of the orbital analysis and other software tools available to NAVSPASUR analysts. These tools were developed in-house over the past thirty years and can be employed in a highly flexible manner. The basic design philosophy for these tools was to implement simple concepts as efficiently as possible and to allow the analyst maximum use of his personal expertise. Finally, several historical breakup scenarios are discussed briefly. These scenarios provide examples of the types of questions that are fairly easy to answer in the present operational environment, as well as examples of questions that are very difficult to answer.

Schumacher, Paul W., Jr.↗

Evaluation plan for space station network interface units

Outlined here is a procedure for evaluating network interface units (NIUs) produced for the Space Station program. The procedures should be equally applicable to the data management system (DMS) testbed NIUs produced by Honeywell and IBM. The evaluation procedures are divided into four areas. Performance measurement tools are hardware and software that must be developed in order to evaluate NIU performance. Performance tests are a series of tests, each of which documents some specific characteristic of NIU and/or network performance. In general, these performance tests quantify the speed, capacity, latency, and reliability of message transmission under a wide variety of conditions. Functionality tests are a series of tests and code inspections that demonstrate the functionality of the particular subset of ISO protocols which have been implemented in a given NIU. Conformance tests are a series of tests which would expose whether or not selected features within the ISO protocols are present and interoperable.

Weaver, Alfred C.↗

An RF interference mitigation methodology with potential applications in scheduling

Software tools for interference analysis and mitigation were developed in the Communications Link Analysis and Simulation System (CLASS) environment for: communications performance evaluation; and mission planning. Potential applications are seen in analysis, evaluation, and optimization of user schedules. Tools producing required separation angles and potential interference intervals can be used as an aid to mutual interference mitigation within a scheduling system.

Wong, Yen F.↗

Problem solving with genetic algorithms and Splicer

Genetic algorithms are highly parallel, adaptive search procedures (i.e., problem-solving methods) loosely based on the processes of population genetics and Darwinian survival of the fittest. Genetic algorithms have proven useful in domains where other optimization techniques perform poorly. The main purpose of the paper is to discuss a NASA-sponsored software development project to develop a general-purpose tool for using genetic algorithms. The tool, called Splicer, can be used to solve a wide variety of optimization problems and is currently available from NASA and COSMIC. This discussion is preceded by an introduction to basic genetic algorithm concepts and a discussion of genetic algorithm applications.

Bayer, Steven E.↗