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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,027 records · Page 57

Real-space Kohn–Sham density functional theory for complex energy applications

Real-space Kohn-Sham density functional theory (real-space KS-DFT) enables large-scale electronic structure simulations that is particularly well-suited for the modern high-performance computing (HPC) architectures. This feature article reviews its theoretical foundations, highlights the algorithmic advances and recent developments, and showcases applications in complex nano systems. We aim to provide a perspective on the trajectory of real-space KS-DFT as an emerging tool for computational chemistry and materials science in the exascale era.

Zhang, Zeyi↗

High-Performance Monitoring Architecture for Large-Scale Distributed Systems Using Event Filtering

Monitoring is an essential process to observe and improve the reliability and the performance of large-scale distributed (LSD) systems. In an LSD environment, a large number of events is generated by the system components during its execution or interaction with external objects (e.g. users or processes). Monitoring such events is necessary for observing the run-time behavior of LSD systems and providing status information required for debugging, tuning and managing such applications. However, correlated events are generated concurrently and could be distributed in various locations in the applications environment which complicates the management decisions process and thereby makes monitoring LSD systems an intricate task. We propose a scalable high-performance monitoring architecture for LSD systems to detect and classify interesting local and global events and disseminate the monitoring information to the corresponding end- points management applications such as debugging and reactive control tools to improve the application performance and reliability. A large volume of events may be generated due to the extensive demands of the monitoring applications and the high interaction of LSD systems. The monitoring architecture employs a high-performance event filtering mechanism to efficiently process the large volume of event traffic generated by LSD systems and minimize the intrusiveness of the monitoring process by reducing the event traffic flow in the system and distributing the monitoring computation. Our architecture also supports dynamic and flexible reconfiguration of the monitoring mechanism via its Instrumentation and subscription components. As a case study, we show how our monitoring architecture can be utilized to improve the reliability and the performance of the Interactive Remote Instruction (IRI) system which is a large-scale distributed system for collaborative distance learning. The filtering mechanism represents an Intrinsic component integrated with the monitoring architecture to reduce the volume of event traffic flow in the system, and thereby reduce the intrusiveness of the monitoring process. We are developing an event filtering architecture to efficiently process the large volume of event traffic generated by LSD systems (such as distributed interactive applications). This filtering architecture is used to monitor collaborative distance learning application for obtaining debugging and feedback information. Our architecture supports the dynamic (re)configuration and optimization of event filters in large-scale distributed systems. Our work represents a major contribution by (1) survey and evaluating existing event filtering mechanisms In supporting monitoring LSD systems and (2) devising an integrated scalable high- performance architecture of event filtering that spans several kev application domains, presenting techniques to improve the functionality, performance and scalability. This paper describes the primary characteristics and challenges of developing high-performance event filtering for monitoring LSD systems. We survey existing event filtering mechanisms and explain key characteristics for each technique. In addition, we discuss limitations with existing event filtering mechanisms and outline how our architecture will improve key aspects of event filtering.

Maly, K.↗

Accelerating Science Driven System Design With RAMP

Researchers from UC Berkeley, in collaboration with the Lawrence Berkeley National Lab, are engaged in developing an Infrastructure for Synthesis with Integrated Simulation (ISIS). The ISIS Project was a cooperative effort for “application-driven hardware design” that engages application scientists in the early parts of the hardware design process for future generation supercomputing systems. This project served to foster development of computing systems that are better tuned to the application requirements of demanding scientific applications and result in more cost-effective and efficient HPC system designs. In order to overcome long conventional design-cycle times, we leveraged reconfigurable devices to aid in the design of high-efficiency systems, including conventional multi- and many-core systems. The resulting system emulation/prototyping environment, in conjunction with the appropriate intermediate abstractions, provided both a convenient user programming experience and retained flexibility, and thus efficiency, of a reconfigurable platform. We initially targeted the Berkeley RAMP system (Research Accelerator for Multiple Processors) as that hardware emulation environment to facilitate and ultimately accelerate the iterative process of science-driven system design. Our goal was to develop and demonstrate a design methodology for domain-optimized computer system architectures. The tangible outcome is a methodology and tools for rapid prototyping and design-space exploration, leading to highly optimized and efficient HPC systems.

97 MATHEMATICS AND COMPUTING↗

Use of the target diagnostic control system in the National Ignition Facility

The extreme physics of targets shocked by NIF's 192-beam laser are observed by a diverse suite of diagnostics including optical backscatter, time-integrated, time resolved and gated X-ray sensors, laser velocity interferometry, and neutron time of flight. Diagnostics to diagnose fusion ignition implosion and neutron emissions have been developed. A Diagnostic Control System (DCS) for both hardware and software facilitates development and eases integration. Each complex diagnostic typically uses an ensemble of electronic instruments attached to sensors, digitizers, cameras, and other devices. In the DCS architecture each instrument is interfaced to a low-cost Window XP processor and Java application. Instruments are aggregated as needed in the supervisory system to form an integrated diagnostic. The Java framework provides data management, control services and operator GUI generation. During the past several years, over thirty-six diagnostics have been deployed using this architecture in support of the National Ignition Campaign (NIC). The DCS architecture facilitates the expected additions and upgrades to diagnostics as more experiments are performed. This paper presents the DCS architecture, framework and our experiences in using it during the NIC to operate, upgrade and maintain a large set of diagnostic instruments.

42 ENGINEERING↗

Progress on the upgrade of the CMS Hadron Calorimeter Front-End electronics

We present a scheme to upgrade the CMS HCAL front-end electronics in the second long shutdown to upgrade the LHC (LS2), which is expected to occur around 2018. The HCAL electronics upgrade is required to handle the major instantaneous luminosity increase (up to 5 * 10{sup 34} cm{sup -2} s{sup -1}) and an expected integrated luminosity of {approx}3000 fb{sup -1}. A key aspect of the HCAL upgrade is to read out longitudinal segmentation information to improve background rejection, energy resolution, and electron isolation at the L1 trigger. This paper focuses on the requirements for the new electronics and on the proposed solutions. The requirements include increased channel count, additional timing capabilities, and additional redundancy. The electronics are required to operate in a harsh environment and are constrained by the existing infrastructure. The proposed solutions span from chip level to system level. They include the development of a new ASIC ADC, the design and testing of higher speed transmitters to handle the increased data volume, the evaluation and use of circuits from other developments, evaluation of commercial FPGAs, better thermal design, and improvements in the overall readout architecture. We will report on the progress of the designs for these upgraded systems, along with performance requirements and initial design studies.

43 PARTICLE ACCELERATORS↗

A VLSI Processor Engine to Support Calculation of the Vector Wave Equation

The development of a VLSI processor engine tailored to support computation of the near-field vector wave equation (VWE) is presented. Calculation of the near field is essential for evaluation of the electromagnetic fields generated by a complex radiating structure. The processor engine presented is optimized such that it takes advantage of the extensive parallelism inherent in the computational algorithm. The utilization of very large scale integration (VLSI) circuit technology and a customized reduced instruction set computer (RISC) architecture support development of a system of these processor engines, each of which is capable of performing the VWE algorithm calculation. By taking maximum advantage of the parallelism present in the calculation and dividing the problem among an array of these processor engines, the calculation can be computed in a realistic time frame.

J W Degroat↗

MoCog1: A computer simulation of recognition-primed human decision making

This report describes the successful results of the first stage of a research effort to develop a 'sophisticated' computer model of human cognitive behavior. Most human decision-making is of the experience-based, relatively straight-forward, largely automatic, type of response to internal goals and drives, utilizing cues and opportunities perceived from the current environment. This report describes the development of the architecture and computer program associated with such 'recognition-primed' decision-making. The resultant computer program was successfully utilized as a vehicle to simulate findings that relate how an individual's implicit theories orient them toward particular goals, with resultant cognitions, affects, and behavior in response to their environment. The present work is an expanded version and is based on research reported while the author was an employee of NASA ARC.

Gevarter, William B.↗

The computer-communication link for the innovative use of Space Station

The potential capability of the computer-communications system link of space station is related to innovative utilization for industrial applications. Conceptual computer network architectures are presented and their respective accommodation of innovative industrial projects are discussed. To achieve maximum system availability for industrialization is a possible design goal, which would place the industrial community in an interactive mode with facilities in space. A worthy design goal would be to minimize the computer-communication management function and thereby optimize the system availability for industrial users. Quasi-autonomous modes and subnetworks are key design issues, since they would be the system elements directly effecting the system performance for industrial use.

Carroll, C. C.↗

Accelerating Satellite Image Based Large-Scale Settlement Detection with GPU

Computer vision algorithms for image analysis are often computationally demanding. Application of such algorithms on large image databases\---- such as the high-resolution satellite imagery covering the entire land surface, can easily saturate the computational capabilities of conventional CPUs. There is a great demand for vision algorithms running on high performance computing (HPC) architecture capable of processing petascale image data. We exploit the parallel processing capability of GPUs to present a GPU-friendly algorithm for robust and efficient detection of settlements from large-scale high-resolution satellite imagery. Feature descriptor generation is an expensive, but a key step in automated scene analysis. To address this challenge, we present GPU implementations for three different feature descriptors\-- multiscale Historgram of Oriented Gradients (HOG), Gray Level Co-Occurrence Matrix (GLCM) Contrast and local pixel intensity statistics. We perform extensive experimental evaluations of our implementation using diverse and large image datasets. Our GPU implementation of the feature descriptor algorithms results in speedups of 220 times compared to the CPU version. We present an highly efficient settlement detection system running on a multiGPU architecture capable of extracting human settlement regions from a city-scale sub-meter spatial resolution aerial imagery spanning roughly 1200 sq. kilometers in just 56 seconds with detection accuracy close to 90\%. This remarkable speedup gained by our vision algorithm maintaining high detection accuracy clearly demonstrates that such computational advancements clearly hold the solution for petascale image analysis challenges.

Patlolla, Dilip Reddy↗

Novel Module Architecture for Lower CapEx and Improved Recyclability for c-Si PV Modules

Photovoltaic (PV) energy production is currently increasing at a rate at which recycling is becoming necessary. A novel module architecture has been demonstrated that has potential for high value recycling for c-Si PV. This architecture eliminates the vacuum lamination process and cross-linked en capsulants. Functioning prototypes of c-Si have been fabricated for stress testing in collaboration with NREL. These modules are being tested against traditionally manufactured modules. Based on preliminary results, this module architecture is a potentially viable solution for improving the manufacturing cost and recyclability of PV modules while retaining module performance.

computer architecture↗

China’s Bid To Lead Artificial Intelligence Chip Development within the Decade

In 2017, the Chinese government announced an ambitious, broad strategy to become the global leader in artificial intelligence (AI) theories, technologies, and applications by 2030 and indicated that China’s ability to indigenously produce cutting-edge AI chips would be integral to its success. China’s goal to become a dominant producer of AI hardware within a decade is a bold undertaking because China faces domestic chip production challenges and fierce competition from US chip producers. Our review of Chinese AI chip product lines shows various levels where Chinese companies compete with global firms in the production chain. China lacks a robust indigenous AI chip production infrastructure, and the United States and its allies are tightening controls on the supply of advanced semiconductor manufacturing equipment (SME) and electronic design automation (EDA) software to China. In contrast to their Chinese counterparts, US companies operate in all areas of AI chip production and have consistently driven the development of new chip designs. AI chip production is a costly endeavor, and China’s chip producers currently lack the customer base to lead global AI chip development by the 2030 goal. An expanded customer base may help China attract the necessary expertise to bolster its AI chip production chain. This would also help Chinese producers make their investments in the requisite technology economically sustainable. Chinese researchers continue to pursue promising next-generation AI chip designs, such as neuromorphic computing-based architectures, which in the next five to ten years could position Chinese companies to make or contribute to key innovations in the field.

74 ATOMIC AND MOLECULAR PHYSICS↗

SimpleSSD: Modeling Solid State Drives for Holistic System Simulation

Existing solid state drive (SSD) simulators unfortunately lack hardware and/or software architecture models. Consequently, they are far from capturing the critical features of contemporary SSD devices. More importantly, while the performance of modern systems that adopt SSDs can vary based on their numerous internal design parameters and storage-level configurations, a full system simulation with traditional SSD models often requires unreasonably long runtimes and excessive computational resources. In this work, we propose SimpleSSD, a high-fidelity simulator that models all detailed characteristics of hardware and software, while simplifying the nondescript features of storage internals. In contrast to existing SSD simulators, SimpleSSD can easily be integrated into publicly-available full system simulators. Here, in addition, it can accommodate a complete storage stack and evaluate the performance of SSDs along with diverse memory technologies and microarchitectures. Thus, it facilitates simulations that explore the full design space at different levels of system abstraction.

97 MATHEMATICS AND COMPUTING↗

Grid Data Access on Widely Distributed Worker Nodes Using Scalla and SRM

Facing the reality of storage economics, NP experiments such as RHIC/STAR have been engaged in a shift of the analysis model, and now heavily rely on using cheap disks attached to processing nodes, as such a model is extremely beneficial over expensive centralized storage. Additionally, exploiting storage aggregates with enhanced distributed computing capabilities such as dynamic space allocation (lifetime of spaces), file management on shared storages (lifetime of files, pinning file), storage policies or a uniform access to heterogeneous storage solutions is not an easy task. The Xrootd/Scalla system allows for storage aggregation. We will present an overview of the largest deployment of Scalla (Structured Cluster Architecture for Low Latency Access) in the world spanning over 1000 CPUs co-sharing the 350 TB Storage Elements and the experience on how to make such a model work in the RHIC/STAR standard analysis framework. We will explain the key features and approach on how to make access to mass storage (HPSS) possible in such a large deployment context. Furthermore, we will give an overview of a fully 'gridified' solution using the plug-and-play features of Scalla architecture, replacing standard storage access with grid middleware SRM (Storage Resource Manager) components designed for space management and will compare the solution with the standard Scalla approach in use in STAR for the past 2 years. Integration details, future plans and status of development will be explained in the area of best transfer strategy between multiple-choice data pools and best placement with respect of load balancing and interoperability with other SRM aware tools or implementations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Edge at the Pier: EPCAPE Software-Defined Sensing Field Campaign Report

The Eastern Pacific Cloud Aerosol Precipitation Experiment (EPCAPE) was aimed to enhance the understanding of cloud and aerosol properties in the region surrounding La Jolla, California. To address challenges in data collection and processing from various instruments, an edge computing device known as Waggle Sage Node (WSN) was deployed at the Ellen Browning Scripps Memorial Pier. WSN is a distributed-sensing platform designed to collect and analyze environmental data at the edge. Sage is a multi-agency-supported project that designs and builds a new kind of national-scale reusable cyberinfrastructure to enable artificial intelligence (AI) at the edge based on the Waggle platform. Sponsors include the U.S. Department of Energy (DOE) Advanced Scientific Computing Research (ASCR), DOE National Nuclear Security Administration (NNSA), DOE Biological and Environmental Research (BER) through DOE Artificial Intelligence for Earth System Predictability (AI4ESP), Argonne Laboratory-Directed Research and Development (LDRD). Sage (https://sagecontinuum.org/) is funded as a National Science Foundation Mid-Scale Research Infrastructure (MSRI) project (https://www.nsf.gov/awardsearch/showAward?AWD_ID=1935984). This robust, multi-architecture edge computing platform facilitated environmental monitoring during the campaign. This report details the scientific objectives, deployment process, and key results of integrating Waggle into the EPCAPE field campaign.

54 ENVIRONMENTAL SCIENCES↗

Computational design of microarchitected porous electrodes for redox flow batteries

Porous electrodes are used as the core reactive component across electrochemical technologies. In flowing systems, controlling the fluid distribution, species transport, and reactive environment is critical to attaining high performance. However, conventional electrode materials like felts and papers provide few opportunities for precise engineering of the electrode and its microstructure. To address these limitations, architected electrodes composed of unit cells with spatially varying geometry determined via computational optimization are proposed. Resolved simulation is employed to develop a homogenized description of the constituent unit cells. These effective properties serve as inputs to a continuum model for the electrode when used in the negative half-cell of a vanadium redox flow battery. Porosity distributions minimizing power loss are then determined via computational design optimization to generate architected porosity electrodes. The architected electrodes are compared to bulk, uniform porosity electrodes and found to lead to increased power efficiency across operating flow rates and currents. The design methodology is further used to generate a scaled-up electrode with comparable power efficiency to the bench-scale systems. Finally, the variable porosity architecture and computational design methodology presented here thus offers a novel pathway for automatically generating spatially engineered electrode structures with improved power performance.

25 ENERGY STORAGE↗

Multiphysics Simulations: Challenges and Opportunities

We consider multiphysics applications from algorithmic and architectural perspectives, where ‘‘algorithmic’’ includes both mathematical analysis and computational complexity, and ‘‘architectural’’ includes both software and hardware environments. Many diverse multiphysics applications can be reduced, en route to their computational simulation, to a common algebraic coupling paradigm. Mathematical analysis of multiphysics coupling in this form is not always practical for realistic applications, but model problems representative of applications discussed herein can provide insight. A variety of software frameworks for multiphysics applications have been constructed and refined within disciplinary communities and executed on leading-edge computer systems. We examine several of these, expose some commonalities among them, and attempt to extrapolate best practices to future systems. From our study, we summarize challenges and forecast opportunities.

Keyes, David↗

Scheduling Operations for Massive Heterogeneous Clusters

High-performance computing (HPC) programming has become increasingly difficult with the advent of hybrid supercomputers consisting of multicore CPUs and accelerator boards such as the GPU. Manual tuning of software to achieve high performance on this type of machine has been performed by programmers. This is needlessly difficult and prone to being invalidated by new hardware, new software, or changes in the underlying code. A system was developed for task-based representation of programs, which when coupled with a scheduler and runtime system, allows for many benefits, including higher performance and utilization of computational resources, easier programming and porting, and adaptations of code during runtime. The system consists of a method of representing computer algorithms as a series of data-dependent tasks. The series forms a graph, which can be scheduled for execution on many nodes of a supercomputer efficiently by a computer algorithm. The schedule is executed by a dispatch component, which is tailored to understand all of the hardware types that may be available within the system. The scheduler is informed by a cluster mapping tool, which generates a topology of available resources and their strengths and communication costs. Software is decoupled from its hardware, which aids in porting to future architectures. A computer algorithm schedules all operations, which for systems of high complexity (i.e., most NASA codes), cannot be performed optimally by a human. The system aids in reducing repetitive code, such as communication code, and aids in the reduction of redundant code across projects. It adds new features to code automatically, such as recovering from a lost node or the ability to modify the code while running. In this project, the innovators at the time of this reporting intend to develop two distinct technologies that build upon each other and both of which serve as building blocks for more efficient HPC usage. First is the scheduling and dynamic execution framework, and the second is scalable linear algebra libraries that are built directly on the former.

Humphrey, John↗

Augmented cognition tool for rapid military decision making.

This report describes the laboratory directed research and development work to model relevant areas of the brain that associate multi-modal information for long-term storage for the purpose of creating a more effective, and more automated, association mechanism to support rapid decision making. Using the biology and functionality of the hippocampus as an analogy or inspiration, we have developed an artificial neural network architecture to associate k-tuples (paired associates) of multimodal input records. The architecture is composed of coupled unimodal self-organizing neural modules that learn generalizations of unimodal components of the input record. Cross modal associations, stored as a higher-order tensor, are learned incrementally as these generalizations form. Graph algorithms are then applied to the tensor to extract multi-modal association networks formed during learning. Doing so yields a novel approach to data mining for knowledge discovery. This report describes the neurobiological inspiration, architecture, and operational characteristics of our model, and also provides a real world terrorist network example to illustrate the model's functionality.

99 GENERAL AND MISCELLANEOUS↗