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At least 721 records · Page 40

Algorithms and software for nonlinear structural dynamics

The objective of this research is to develop efficient methods for explicit time integration in nonlinear structural dynamics for computers which utilize both concurrency and vectorization. As a framework for these studies, the program WHAMS, which is described in Explicit Algorithms for the Nonlinear Dynamics of Shells (T. Belytschko, J. I. Lin, and C.-S. Tsay, Computer Methods in Applied Mechanics and Engineering, Vol. 42, 1984, pp 225 to 251), is used. There are two factors which make the development of efficient concurrent explicit time integration programs a challenge in a structural dynamics program: (1) the need for a variety of element types, which complicates the scheduling-allocation problem; and (2) the need for different time steps in different parts of the mesh, which is here called mixed delta t integration, so that a few stiff elements do not reduce the time steps throughout the mesh.

Belytschko, Ted↗

An integrated security framework for GOSS power grid analytics platform

In power grid operations, security is an essential component for any middleware platform. Security protects data against unwanted access as well as cyber attacks. GridOpticsTM Software System (GOSS) is an open source power grid analytics platform that facilitates ease of access between applications and data sources and promotes development of advanced analytical applications. GOSS contains an API that abstracts many of the difficulties in connecting to various heterogeneous data sources. A number of applications and data sources have already been implemented to demonstrate functionality and ease of use. A security framework has been implemented which leverages widely accepted, robust JavaTM security tools in a way such that they can be interchanged as needed. This framework supports the complex fine-grained, access control rules identified for the diverse data sources already in GOSS. Performance and reliability are also important considerations in any power grid architecture. An evaluation is done to determine the overhead cost caused by security within GOSS and ensure minimal impact to performance.

Gibson, Tara D.↗

Asynchronous Runtimes in Action: An Introspective Framework for a Next Gen Runtime

One of the most critical challenges that new high performance systems face is the lack of system software support for these large scale systems. Investment on system stack components is essential in the development, debugging and optimization of the new emerging programming models. These emerging models have the promise to better utilize the vast hardware resources available in current and future systems. To aid in the development of applications and new system stacks, runtimes, as instances of their respective execution models, need to produce facilities to introspect their inner workings and allow an indepth attribution of performance bottlenecks and computational patterns. In other words, the runtime systems need to reduce their opacity to observers so that users of a novel program execution model can adapt their designs to fit the intended model usage, regardless of the layer that they are working on. This design/development loop (akin to co-design) enables synergistic opportunities across the entire computational stack. This paper presents the design and implementation of a simple “gray” box performance attribution harness running inside a fine grain runtime system: the Open Community Runtime (OCR). We showcase what such a framework can indicate regarding the runtime behavior while running at scale. To this end, we have designed a set of synthetic scenarios aimed to test the runtime at their best and worst cases. We present an analysis of the most important runtime features, properties and idiosyncrasies that will affect the development of new runtime features, algorithmic selection, and application development.

high performance distributed runtimes↗

Increasing Flight Software Reuse with OpenSatKit

In January 2015 the NASA Goddard Space Flight Center (GSFC) released the Core Flight System (cFS) as open source under the NASA Open Source Agreement (NOSA) license. The cFS is based on flight software (FSW) developed for 12 spacecraft spanning nearly two decades of effort and it can provide about a third of the FSW functionality for a low-earth orbiting scientific spacecraft. The cFS is a FSW framework that is portable, configurable, and extendable using a product line deployment model. However, the components are maintained separately so the user must configure, integrate, and deploy them as a cohesive functional system. This can be very challenging especially for organizations such as universities building cubesats that have minimal experience developing FSW. Supporting universities was one of the primary motivators for releasing the cFS under NOSA. This paper describes the OpenSatKit that was developed to address the cFS deployment challenges and to serve as a cFS training platform for new users. It provides a fully functional out-of-the box software system that includes NASA's cFS, Ball Aerospaceâ€"TM"s command and control system COSMOS, and a NASA dynamic simulator called 42. The kit is freely available since all of the components have been released as open source. The kit runs on a Linux platform, includes 8 cFS applications, several kit-specific applications, and built in demos illustrating how to use key application features. It also includes the software necessary to port the cFS to a Raspberry Pi and instructions for configuring COSMOS to communicate with the target. All of the demos and test scripts can be rerun unchanged with the cFS running on the Raspberry Pi. The cFS uses a 3-tiered layered architecture including a platform abstraction layer, a Core Flight Executive (cFE) middle layer, and an application layer. Similar to smart phones, the cFS application layer is the key architectural feature for userâ€"TM"s to extend the FSW functionality to meet their mission-specific requirements. The platform abstraction layer and the cFE layers go a step further than smart phones by providing a platform-agnostic Application Programmer Interface (API) that allows applications to run unchanged on different platforms. OpenSatKit can serve two significant architectural roles that will further help the adoption of the cFS and help create a community of users that can share assets. First, the kit is being enhanced to automate the integration of applications with the goal of creating a virtual cFS 'App Store'. Second, a platform certification test suite can be developed that would allow users to verify the port of the cFS to a new platform. This paper will describe the current state of these efforts and future plans.

McComas, David↗

Increasing Flight Software Reuse with OpenSatKit

In January 2015 the NASA Goddard Space Flight Center (GSFC) released the Core Flight System (cFS) as open source under the NASA Open Source Agreement (NOSA) license. The cFS is based on flight software (FSW) developed for 12 spacecraft spanning nearly two decades of effort and it can provide about a third of the FSW functionality for a low-earth orbiting scientific spacecraft. The cFS is a FSW framework that is portable, configurable, and extendable using a product line deployment model. However, the components are maintained separately so the user must configure, integrate, and deploy them as a cohesive functional system. This can be very challenging especially for organizations such as universities building cubesats that have minimal experience developing FSW. Supporting universities was one of the primary motivators for releasing the cFS under NOSA. This paper describes the OpenSatKit that was developed to address the cFS deployment challenges and to serve as a cFS training platform for new users. It provides a fully functional out-of-the box software system that includes NASA's cFS, Ball Aerospace's command and control system COSMOS, and a NASA dynamic simulator called 42. The kit is freely available since all of the components have been released as open source. The kit runs on a Linux platform, includes 8 cFS applications, several kit-specific applications, and built in demos illustrating how to use key application features. It also includes the software necessary to port the cFS to a Raspberry Pi and instructions for configuring COSMOS to communicate with the target. All of the demos and test scripts can be rerun unchanged with the cFS running on the Raspberry Pi. The cFS uses a 3-tiered layered architecture including a platform abstraction layer, a Core Flight Executive (cFE) middle layer, and an application layer. Similar to smart phones, the cFS application layer is the key architectural feature for users to extend the FSW functionality to meet their mission-specific requirements. The platform abstraction layer and the cFE layers go a step further than smart phones by providing a platform-agnostic Application Programmer Interface (API) that allows applications to run unchanged on different platforms. OpenSatKit can serve two significant architectural roles that will further help the adoption of the cFS and help create a community of users that can share assets. First, the kit is being enhanced to automate the integration of applications with the goal of creating a virtual cFS "App Store".. Second, a platform certification test suite can be developed that would allow users to verify the port of the cFS to a new platform. This paper will describe the current state of these efforts and future plans.

Computer Programming and Software↗

Nanoporous Materials Genome Center Final Technical Report

Nanoporous materials (NPMs), including zeolites/zeotypes, metal-organic frameworks (MOFs), covalent organic frameworks, polymers with intrinsic microporosity, and molecular cages, possess enormous potential in diverse areas relevant to the DOE Office of Science Basic Energy Sciences (BES) mission and objectives. The Nanoporous Materials Genome Center (NMGC) has developed exascale-ready software, computational/theoretical chemistry methods, and data-driven science approaches that enable (i) the de-novo design of functional NPMs for chemical separation and catalysis tasks of increasing complexity, (ii) the discovery of the most promising functional NPMs from databases of synthesized and hypothetical adsorbent structures and the optimization of process conditions for specific applications, and (iii) the microscopic-level understanding of the fundamental interactions underlying the function of NPMs including hierarchical architectures, composite materials, responsive frameworks that may undergo phase transitions or post-synthetic modifications, and materials containing defects, partial disorder, or interfaces. A pivotal part of the NMGC project has been a tight collaboration between leading experimental groups for synthesis and characterization of NPMs and of computational groups that allowed for iterative feedback. The NMGC project has resulted in the publication of more than 290 research and review articles including more than 60 publications in high-impact journals and more than 15 journal covers. NMGC publications have already received more than 20,000 citations (with more than 3,000 citations per year in 2021, 2022, and 2023) and contribute to an h-index of more than 72. The NMGC award has supported collaborative research involving 28 research groups and contributed to the training of more than 40 postdocs, more than 60 graduate students, and more than 20 undergraduate students with broad expertise in data-driven science approaches, computational chemistry methods, and high-performance computing, in addition to the skills to thrive in an integrated experimental and computational research environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development and Validation of a Geant4 Radiation Shielding Simulation Framework

Geant4 (`Geometry and Tracking') is a C++ Monte- Carlo simulation toolkit developed by the Geant4 Collaboration under CERN and is used to describe inter- actions between particles and matter. It has been shown, through significant benchmarking against physical experiments and other software, to be remarkably accurate at simulating interactions between particles and matter. Currently, Geant4 is being used on world-wide projects such as ATLAS, CMS, Muon g-2, and ILC, largely due to being accurate, open-source, and written in a modern language. This openness and modernity is striking when compared to other Monte-Carlo simulation toolkits such as the Fortran toolkit MCNP (Monte-Carlo N-Particle code), which is restricted in acquisition and use by the US government. Despite barriers in the use of MCNP and having been written in an antiquated language, MCNP is still considered industry-standard for many fields, including radiation shielding. This paper details the development and validation of a radiation shielding simulation framework in Geant4 aimed at flexibility and ease of simulations with the goal of replacing MCNP scripts.

43 PARTICLE ACCELERATORS↗

Bringing heterogeneity to the CMS software framework [Slides]

Co-processors or accelerators like GPUs and FPGAs are becoming more and more popular. CMS' data processing framework (CMSSW) implements multi-threading using Intel TBB utilizing tasks as concurrent units of work. We have developed generic mechanisms within the CMSSW framework to interact effectively with non-CPU resources and configure CPU and non-CPU algorithms in a unified way. As a first step to gain experience, we have explored mechanisms for how algorithms could offload work to NVIDIA GPUs with CUDA.

97 MATHEMATICS AND COMPUTING↗

Bringing heterogeneity to the CMS software framework [Slides]

Co-processors or accelerators like GPUs and FPGAs are becoming more and more popular. CMS’ data processing framework (CMSSW) implements multi-threading using Intel TBB utilizing tasks as concurrent units of work. We have developed generic mechanisms within the CMSSW framework to interact effectively with non-CPU resources and configure CPU and non-CPU algorithms in a unified way. As a first step to gain experience, we have explored mechanisms for how algorithms could offload work to NVIDIA GPUs with CUDA.

97 MATHEMATICS AND COMPUTING↗

Simulations of Events for the LUX-ZEPLIN (LZ) Dark Matter Experiment

The LUX-ZEPLIN dark matter search aims to achieve a sensitivity to the WIMP-nucleon spin-independent cross-section down to (1–2) ×10−12 pb at a WIMP mass of 40 GeV/ c 2 . This paper describes the simulations framework that, along with radioactivity measurements, was used to support this projection, and also to provide mock data for validating reconstruction and analysis software. Of particular note are the event generators, which allow us to model the background radiation, and the detector response physics used in the production of raw signals, which can be converted into digitized waveforms similar to data from the operational detector. Inclusion of the detector response allows us to process simulated data using the same analysis routines as developed to process the experimental data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Advanced High-Performance Computational Modeling of the Seismic Response of High-Hazard and/or Nuclear Facilities and Critical Infrastructure at the NNSS

New methods for predicting the amplitude and variability of ground shaking from earthquakes (and explosions) are needed for seismic hazard analysis for buildings, nuclear power plants, and critical infrastructure at the NNSS. We are comparing existing 1-D and new 3-D geophysical methods for estimating the shear-wave velocity structure in the upper 30 meters of the ground surface (Vs30), which plays a major role in ground motion amplification and seismic response of buildings. We evaluate the performance of these methodologies at the U1a Complex at the NNSS and develop simple 1-D and high-resolution 3-D Vs30 models. We then emplace these high-resolution models into a background seismic velocity model. We will collaborate with Lawrence Livermore National Laboratory (LLNL) to conduct numerical modeling of the ground shaking at the NNSS using their high-performance computing technology and state-of-the-art ground motion simulation methodology. The primary work that was completed in FY 2019 was to acquire the seismic systems and familiarize staff at the NNSS with their use. We also worked on developing a collection plan with the Device Assembly Facility (DAF) at the NNSS, but due to time constraints and other ongoing projects at the DAF, we had to use U1a as a backup. We were able to coordinate the seismic survey, and we will complete the collection of seismic data in FY 2020. Additionally, during FY 2019, we completed the geologic framework model (GFM) for the U1a Complex and modeled the Yucca fault. LLNL worked with us through FY 2019 to prepare the data files for their modeling software and tested the software for reliability. In FY 2020 we will develop the end-to-end capability so that any facility could easily be modeled and the expected shaking from a local earthquake understood. The work in FY 2020 will include building fault models from the GFM and finalizing the velocity model analysis. The final simulations will be run for multiple rupture models, and final assessments will demonstrate the seismic hazard at the U1a Complex.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Automatic Parameter Tuning for the Morpheus Vehicle Using Particle Swarm Optimization

A high fidelity simulation using a PC based Trick framework has been developed for Johnson Space Center's Morpheus test bed flight vehicle. There is an iterative development loop of refining and testing the hardware, refining the software, comparing the software simulation to hardware performance and adjusting either or both the hardware and the simulation to extract the best performance from the hardware as well as the most realistic representation of the hardware from the software. A Particle Swarm Optimization (PSO) based technique has been developed that increases speed and accuracy of the iterative development cycle. Parameters in software can be automatically tuned to make the simulation match real world subsystem data from test flights. Special considerations for scale, linearity, discontinuities, can be all but ignored with this technique, allowing fast turnaround both for simulation tune up to match hardware changes as well as during the test and validation phase to help identify hardware issues. Software models with insufficient control authority to match hardware test data can be immediately identified and using this technique requires very little to no specialized knowledge of optimization, freeing model developers to concentrate on spacecraft engineering. Integration of the PSO into the Morpheus development cycle will be discussed as well as a case study highlighting the tool's effectiveness.

Birge, B.↗

Bridging the Gap Between Requirements and Simulink Model Analysis

Formal verification and simulation are powerful tools for the verification of requirements against complex systems. Requirements are developed in early stages of the software lifecycle and are typically expressed in natural language. There is a gap between such requirements and their software implementations.We present a framework that bridges this gap by supporting a tight integration and feedback loop between high-level requirements and their analysis against software artifacts. Our framework implements an analysis portal within the fret requirements elicitation tool, thus forming an end-to-end, open-source environment where requirements are written in an intuitive, structured natural language, and are verified automatically against Simulink models.

Mavridou, Anastasia↗

SoMo: Fast and Accurate Simulations of Continuum Robots in Complex Environments

Engineers and scientists often rely on their intuition and experience when designing soft robotic systems. The development of performant controllers and motion plans for these systems commonly requires time-consuming iterations on hardware. We present the SoMo (Soft Motion) toolkit, a software framework that makes it easy to instantiate and control typical continuum manipulators in an accurate physics simulator. SoMo introduces a standardized and human-readable description format for continuum manipulators. It leverages this description format and the Bullet physics engine to enable fast and accurate simulations of soft and soft-rigid hybrid robots in environments with complex contact interactions. This allows users to vary design and control parameters across simulations with minimal effort. We compare the capabilities of SoMo to other physics simulators and highlight the benefits and accuracy of SoMo by demonstrating the agreement between simulation and real-world experiments on several examples; these include an in-hand manipulation task with continuum fingers, an automated exploration of how to design soft fingers for precision grasping, and a brief snake locomotion study. Overall, SoMo provides an accessible way for designers of soft robotic hardware and control systems to gain access to a simulation-accelerated workflow.

Moritz A. Graule↗

DOE BSSD Performance Management Metrics Report Q1

Microbes play key roles in our biosphere, from driving global nutrient cycling to impacting plant, animal and human health and disease. Complex data from microbial genomes, proteins, and metabolites provide a window into these tiny engines that drive life on our planet. Yet these data are dispersed among researchers’ laboratories and various repositories, making it difficult to access. This calls for new ways of managing data, improving data interoperability, advancing community standards, and creating an infrastructure where data are shared efficiently. We have built the National Microbiome Data Collaborative (NMDC) to advance how scientists create, use, and reuse data to redefine the way we understand and harness the power of microbes. The vision of the National Microbiome Data Collaborative (NMDC) is to drive a microbiome data sharing network connecting data, people, and ideas to advance microbiome innovation and discovery. The NMDC was launched in 2019 and brought together DOE National Laboratories to collaborate across resources, capabilities, and expertise. The NMDC team was strategically assembled to include software developers, microbial researchers, metadata experts, and multi-omics specialists. The diversity of the NMDC team reflects the inherently interdisciplinary nature of microbiome science, and we leverage the strengths of the DOE National Laboratory system. Towards BER’s goal of advancing an iterative systems biology approach to the understanding of microbial genomes, the NMDC serves as a foundation for infrastructure, data standards, and community building. Together with the flagship DOE User Facilities, the Joint Genome Institute (JGI) and the Environmental Molecular Sciences Laboratory (EMSL), we are developing core capabilities in metadata standards for environmental descriptors and sample handling and processing; standardized bioinformatic workflows; an interface for data search and access; and robust community engagement activities. The NMDC production platform supports long-term data infrastructure and community building for BER’s bioenergy and environmental research goals. Our approach leverages lessons learned and an ambitious framework for collaborative, interdisciplinary data infrastructure to support microbiome research. The NMDC supports data, information, and knowledge access through three defined software tools – the Submission Portal, NMDC EDGE, and the Data Portal – driven by community needs. Herein, we describe the value proposition for the microbiome research community, our overarching strategy, and challenges and opportunities for developing the NMDC as both an infrastructure and community engagement program.

59 BASIC BIOLOGICAL SCIENCES↗

Heating Ventilation Air-Conditioning (HVAC) System Analysis and Optimization for Revit with the OpenStudio Analytical Framework (CRADA Final Report)

This project proposes to integrate the NREL-developed OpenStudio (OS) and its accompanying Analytical Framework (OSAF) into Autodesk’s (ADSK’s) market leading suite of building information modeling (BIM) tools. As a result, BIM users will gain access to advanced (but user-friendly) building energy modeling (BEM), calibration, and design optimization capabilities. Following integration, the BIM software will automatically generate a consistent OS-based BEM model, allowing users to develop projects in an integrated manner, moving back and forth between architectural and engineering perspectives without redundancy or data loss, saving time and effort.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Test Driven Development of Scientific Models

Test-Driven Development (TDD), a software development process that promises many advantages for developer productivity and software reliability, 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.After a brief overview of the TDD process and my experience in applying the methodology for development activities at Goddard, I will delve more deeply into some of the challenges that are posed by numerical and scientific software as well as tools and implementation approaches that should address those challenges.

Overview of TDD Process↗

Mochi: Composing Data Services for High-Performance Computing Environments

Technology enhancements and the growing breadth of application workflows running on high-performance computing (HPC) platforms drive the development of new data services that provide high performance on these new platforms, provide capable and productive interfaces and abstractions for a variety of applications, and are readily adapted when new technologies are deployed. The Mochi framework enables composition of specialized distributed data services from a collection of connectable modules and subservices. Rather than forcing all applications to use a one-size-fits-all data staging and I/O software configuration, Mochi allows each application to use a data service specialized to its needs and access patterns. This paper introduces the Mochi framework and methodology. The Mochi core components and microservices are described. Examples of the application of the Mochi methodology to the development of four specialized services are detailed. Finally, a performance evaluation of a Mochi core component, a Mochi microservice, and a composed service providing an object model is performed. The paper concludes by positioning Mochi relative to related work in the HPC space and indicating directions for future work.

97 MATHEMATICS AND COMPUTING↗