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At least 1,693 records · Page 94

All sources NASA NTRS DOE OSTI

DOE OSTI2012

A Specification for a Godunov-type Eulerian 2-D Hydrocode, Revision 0

The purpose of this code specification is to describe an algorithm for solving the Euler equations of hydrodynamics in a 2D rectangular region in sufficient detail to allow a software developer to produce an implementation on their target platform using their programming language of choice without requiring detailed knowledge and experience in the field of computational fluid dynamics. It should be possible for a software developer who is proficient in the programming language of choice and is knowledgable of the target hardware to produce an efficient implementation of this specification if they also possess a thorough working knowledge of parallel programming and have some experience in scientific programming using fields and meshes. On modern architectures, it will be important to focus on issues related to the exploitation of the fine grain parallelism and data locality present in this algorithm. This specification aims to make that task easier by presenting the essential details of the algorithm in a systematic and language neutral manner while also avoiding the inclusion of implementation details that would likely be specific to a particular type of programming paradigm or platform architecture.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2002

CAD/CAE Integration Enhanced by New CAD Services Standard

A Government-industry team led by the NASA Glenn Research Center has developed a computer interface standard for accessing data from computer-aided design (CAD) systems. The Object Management Group, an international computer standards organization, has adopted this CAD services standard. The new standard allows software (e.g., computer-aided engineering (CAE) and computer-aided manufacturing software to access multiple CAD systems through one programming interface. The interface is built on top of a distributed computing system called the Common Object Request Broker Architecture (CORBA). CORBA allows the CAD services software to operate in a distributed, heterogeneous computing environment.

Claus, Russell W.↗

NASA NTRS2000

An Architecture for Real-Time Interpretation and Visualization of Structural Sensor Data in a Laboratory Environment

A visualization system is being developed out of the need to monitor, interpret, and make decisions based on the information from several thousand sensors during experimental testing to facilitate development and validation of structural health monitoring algorithms. As an added benefit the system will enable complete real-time sensor assessment of complex test specimens. Complex structural specimens are routinely tested that have hundreds or thousands of sensors. During a test, it is impossible for a single researcher to effectively monitor all the sensors and subsequently interesting phenomena occur that are not recognized until post-test analysis. The ability to detect and alert the researcher to these unexpected phenomena as the test progresses will significantly enhance the understanding and utilization of complex test articles. Utilization is increased by the ability to halt a test when the health monitoring algorithm response is not satisfactory or when an unexpected phenomenon occurs, enabling focused investigation potentially through the installation of additional sensors. Often if the test continues, structural changes make it impossible to reproduce the conditions that exhibited the phenomena. The prohibitive time and costs associated with fabrication, sensoring, and subsequent testing of additional test articles generally makes it impossible to further investigate the phenomena. A scalable architecture is described to address the complex computational demands of structural health monitoring algorithm development and laboratory experimental test monitoring. The researcher monitors the test using a photographic quality 3D graphical model with actual sensor locations identified. In addition, researchers can quickly activate plots displaying time or load versus selected sensor response along with the expected values and predefined limits. The architecture has several key features. First, distributed dissimilar computers may be seamlessly integrated into the information flow. Second, virtual sensors may be defined that are complex functions of existing sensors or other virtual sensors. Virtual sensors represent a calculated value not directly measured by particular physical instrument. They can be used, for example, to represent the maximum difference in a range of sensors or the calculated buckling load based on the current strains. Third, the architecture enables autonomous response to preconceived events, where by the system can be configured to suspend or abort a test if a failure is detected in the load introduction system. Fourth, the architecture is designed to allow cooperative monitoring and control of the test progression from multiple stations both remote and local to the test system. To illustrate the architecture, a preliminary implementation is described monitoring the Stitched Composite Wing recently tested at LaRC.

Doggett, William↗

DOE OSTI2013

MASSIVE HYBRID PARALLELISM FOR FULLY IMPLICIT MULTIPHYSICS

As hardware advances continue to modify the supercomputing landscape, traditional scientific software development practices will become more outdated, ineffective, and inefficient. The process of rewriting/retooling existing software for new architectures is a Sisyphean task, and results in substantial hours of development time, effort, and money. Software libraries which provide an abstraction of the resources provided by such architectures are therefore essential if the computational engineering and science communities are to continue to flourish in this modern computing environment. The Multiphysics Object Oriented Simulation Environment (MOOSE) framework enables complex multiphysics analysis tools to be built rapidly by scientists, engineers, and domain specialists, while also allowing them to both take advantage of current HPC architectures, and efficiently prepare for future supercomputer designs. MOOSE employs a hybrid shared-memory and distributed-memory parallel model and provides a complete and consistent interface for creating multiphysics analysis tools. In this paper, a brief discussion of the mathematical algorithms underlying the framework and the internal object-oriented hybrid parallel design are given. Representative massively parallel results from several applications areas are presented, and a brief discussion of future areas of research for the framework are provided.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2013

Massive hybrid parallelism for fully implicit multiphysics

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2014

Neural Network Machine Learning and Dimension Reduction for Data Visualization

Neural network machine learning in computer science is a continuously developing field of study. Although neural network models have been developed which can accurately predict a numeric value or nominal classification, a general purpose method for constructing neural network architecture has yet to be developed. Computer scientists are often forced to rely on a trial-and-error process of developing and improving accurate neural network models. In many cases, models are constructed from a large number of input parameters. Understanding which input parameters have the greatest impact on the prediction of the model is often difficult to surmise, especially when the number of input variables is very high. This challenge is often labeled the "curse of dimensionality" in scientific fields. However, techniques exist for reducing the dimensionality of problems to just two dimensions. Once a problem's dimensions have been mapped to two dimensions, it can be easily plotted and understood by humans. The ability to visualize a multi-dimensional dataset can provide a means of identifying which input variables have the highest effect on determining a nominal or numeric output. Identifying these variables can provide a better means of training neural network models; models can be more easily and quickly trained using only input variables which appear to affect the outcome variable. The purpose of this project is to explore varying means of training neural networks and to utilize dimensional reduction for visualizing and understanding complex datasets.

Liles, Charles A.↗

NASA NTRS2005

Hot Chips and Hot Interconnects for High End Computing Systems

I will discuss several processors: 1. The Cray proprietary processor used in the Cray X1; 2. The IBM Power 3 and Power 4 used in an IBM SP 3 and IBM SP 4 systems; 3. The Intel Itanium and Xeon, used in the SGI Altix systems and clusters respectively; 4. IBM System-on-a-Chip used in IBM BlueGene/L; 5. HP Alpha EV68 processor used in DOE ASCI Q cluster; 6. SPARC64 V processor, which is used in the Fujitsu PRIMEPOWER HPC2500; 7. An NEC proprietary processor, which is used in NEC SX-6/7; 8. Power 4+ processor, which is used in Hitachi SR11000; 9. NEC proprietary processor, which is used in Earth Simulator. The IBM POWER5 and Red Storm Computing Systems will also be discussed. The architectures of these processors will first be presented, followed by interconnection networks and a description of high-end computer systems based on these processors and networks. The performance of various hardware/programming model combinations will then be compared, based on latest NAS Parallel Benchmark results (MPI, OpenMP/HPF and hybrid (MPI + OpenMP). The tutorial will conclude with a discussion of general trends in the field of high performance computing, (quantum computing, DNA computing, cellular engineering, and neural networks).

Saini, Subhash↗

DOE OSTI2017

A High Performance Block Eigensolver for Nuclear Configuration Interaction Calculations

As on-node parallelism increases and the performance gap between the processor and the memory system widens, achieving high performance in large-scale scientific applications requires an architecture-aware design of algorithms and solvers. We focus on the eigenvalue problem arising in nuclear Configuration Interaction (CI) calculations, where a few extreme eigenpairs of a sparse symmetric matrix are needed. Here, we consider a block iterative eigensolver whose main computational kernels are the multiplication of a sparse matrix with multiple vectors (SpMM), and tall-skinny matrix operations. We then present techniques to significantly improve the SpMM and the transpose operation SpMM T by using the compressed sparse blocks (CSB) format. We achieve 3-4× speedup on the requisite operations over good implementations with the commonly used compressed sparse row (CSR) format. We develop a performance model that allows us to correctly estimate the performance of our SpMM kernel implementations, and we identify cache bandwidth as a potential performance bottleneck beyond DRAM. We also analyze and optimize the performance of LOBPCG kernels (inner product and linear combinations on multiple vectors) and show up to 15× speedup over using high performance BLAS libraries for these operations. The resulting high performance LOBPCG solver achieves 1.4× to 1.8× speedup over the existing Lanczos solver on a series of CI computations on high-end multicore architectures (Intel Xeons). We also analyze the performance of our techniques on an Intel Xeon Phi Knights Corner (KNC) processor.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Quantum computation of silicon electronic band structure

Development of quantum architectures during the last decade has inspired hybrid classical–quantum algorithms in physics and quantum chemistry that promise simulations of fermionic systems beyond the capability of modern classical computers, even before the era of quantum computing fully arrives. Strong research efforts have been recently made to obtain minimal depth quantum circuits which could accurately represent chemical systems. Here, we show that unprecedented methods used in quantum chemistry, designed to simulate molecules on quantum processors, can be extended to calculate properties of periodic solids. In particular, we present minimal depth circuits implementing the variational quantum eigensolver algorithm and successfully use it to compute the band structure of silicon on a quantum machine for the first time. We are convinced that the presented quantum experiments performed on cloud-based platforms will stimulate more intense studies towards scalable electronic structure computation of advanced quantum materials.

36 MATERIALS SCIENCE↗

NASA NTRS1999

Portable Parallel Programming for the Dynamic Load Balancing of Unstructured Grid Applications

The ability to dynamically adapt an unstructured -rid (or mesh) is a powerful tool for solving computational problems with evolving physical features; however, an efficient parallel implementation is rather difficult, particularly from the view point of portability on various multiprocessor platforms We address this problem by developing PLUM, tin automatic anti architecture-independent framework for adaptive numerical computations in a message-passing environment. Portability is demonstrated by comparing performance on an SP2, an Origin2000, and a T3E, without any code modifications. We also present a general-purpose load balancer that utilizes symmetric broadcast networks (SBN) as the underlying communication pattern, with a goal to providing a global view of system loads across processors. Experiments on, an SP2 and an Origin2000 demonstrate the portability of our approach which achieves superb load balance at the cost of minimal extra overhead.

Biswas, Rupak↗

NASA NTRS1994

Development of a Prototype Real-Time Automated Filter for Operational Deep Space Navigation

Operational deep space navigation has in the past, and is currently, performed using systems whose architecture was designed to accommodate tape data transfers and computing environments with a tiny fraction of the current capability. Additionally, this architecture requires constant human supervision and intervention. A prototype for a system which allows relatively automated processing of radio metric data received in near real-time from NASA's Deep Space Network (DSN) without any redesign of the existing operational flow has been developed. This system will allow for more rapid response as well as much reduced staffing to support mission navigation operations.

deep↗

DOE OSTI2018

Scaling Deep Learning workloads: NVIDIA DGX-1/Pascal and Intel Knights Landing

Deep Learning (DL) algorithms have become ubiquitous in data analytics. As a result, major computing vendors—including NVIDIA, Intel, AMD, and IBM—have architectural road maps influenced by DL workloads. Furthermore, several vendors have recently advertised new computing products as accelerating large DL workloads. Unfortunately, it is difficult for data scientists to quantify the potential of these different products. Here, this article provides a performance and power analysis of important DL workloads on two major parallel architectures: NVIDIA DGX-1 (eight Pascal P100 GPUs interconnected with NVLink) and Intel Knights Landing (KNL) CPUs interconnected with Intel Omni-Path or Cray Aries. Our evaluation consists of a cross section of convolutional neural net workloads: CifarNet, AlexNet, GoogLeNet, and ResNet50 topologies using the Cifar10 and ImageNet datasets. The workloads are vendor-optimized for each architecture. We use sequentially equivalent implementations to maintain iso-accuracy between parallel and sequential DL models. Our analysis indicates that although GPUs provide the highest overall performance, the gap can close for some convolutional networks; and the KNL can be competitive in performance/watt. We find that NVLink facilitates scaling efficiency on GPUs. However, its importance is heavily dependent on neural network architecture. Furthermore, for weak-scaling—sometimes encouraged by restricted GPU memory—NVLink is less important.

97 MATHEMATICS AND COMPUTING↗

NASA NTRSDate not supplied

A Partitioned - Task Parallel Implementation of the NASA Multiscale Analysis Tool for High Performance Computing

The NASA Multiscale Analysis Tool (NASMAT) is a platform for multiscale modeling of composites which can perform analysis of materials with any arbitrary number of length scales. The platform supports modularity, scalability, and interoperability using recursive procedures and data structures. A Macro solver driven parallelization scheme often limits the capability of NASMAT to scale as it has access to limited memory and number of cores (often one core/thread) and often forces to implement macro solver specific changes to the platform. In this work, a partitioned task-parallel approach is adopted, where the parallelization strategy adopted for NASMAT is independent of the macro solver and the computational resources are managed independently. The programming architecture takes into account the hierarchy of multiple scales (task-dependence) and the heterogeneous nature (dynamic load balancing) of computation through implementation of a hierarchy-informed task parallel model. The partitioned nature of the framework further extends the “plug and play” capability of NASMAT. preCICE, an open-source library for coupling multiphysics solver in a partitioned manner, is adopted to integrate NASMAT with an external macro solver by implementing a NASMAT adapter for preCICE. Speedup and scalability of the framework is studied for micromechanical models of varying size.

task-parallel↗

DOE OSTI2023

VTK-m: Visualization for the Exascale Era and Beyond

A recent trend in modern high-performance computing is the increasing use of hybrid architectures, where the vast majority of performance comes from accelerators. Modern accelerators are based on Graphics Processing Units (GPU) that contain many low power cores that in their aggregate provides an extremely high computation rate. Current and future CPU processors are requiring more explicit parallelism as each successive version of the hardware packs in more cores, and technologies like hyperthreading and vector operations require even more parallel processing to leverage each core’s full potential. As an example, the Frontier supercomputer installed at Oak Ridge National Laboratories recently hit a record breaking 1.1 exaflops1 on the LINPACK HPC benchmark [Shoemaker 2022]. The system contains 37632 AMD MI250x GPUs which requires more than half a billion threads to keep the system fully utilized [Khizeran 2022].VTK-m is a toolkit of scientific visualization algorithms for these emerging processor architectures. VTK-m supports the fine-grained concurrency for data analysis and visualization algorithms required to drive extreme scale computing by providing abstract models for data and execution that can be applied to a variety of algorithms across many different processor architectures.

Bolstad, Mark↗

DOE OSTI2018

Research and Education in Computational Science and Engineering

Over the past two decades the field of computational science and engineering (CSE) has penetrated both basic and applied research in academia, industry, and laboratories to advance discovery, optimize systems, support decision-makers, and educate the scientific and engineering workforce. Informed by centuries of theory and experiment, CSE performs computational experiments to answer questions that neither theory nor experiment alone is equipped to answer. CSE provides scientists and engineers of all persuasions with algorithmic inventions and software systems that transcend disciplines and scales. Carried on a wave of digital technology, CSE brings the power of parallelism to bear on troves of data. Mathematics-based advanced computing has become a prevalent means of discovery and innovation in essentially all areas of science, engineering, technology, and society; and the CSE community is at the core of this transformation. However, a combination of disruptive developments— including the architectural complexity of extreme-scale computing, the data revolution that engulfs the planet, and the specialization required to follow the applications to new frontiers—is redefining the scope and reach of the CSE endeavor. This report describes the rapid expansion of CSE and the challenges to sustaining its bold advances. The report also presents strategies and directions for CSE research and education for the next decade.

computational science and engineering↗

DOE OSTI2023

Building the I (Interoperability) of FAIR for performance reproducibility of large-scale composable workflows in RECUP

Abstract-Scientific computing communities increasingly run their experiments using complex data- and compute-intensive workflows that utilize distributed and heterogeneous architectures targeting numerical simulations and machine learning, often executed on the Department of Energy Leadership Computing Facilities (LCFs). We argue that a principled, systematic approach to implementing FAIR principles at scale, including fine-grained metadata extraction and organization, can help with the numerous challenges to performance reproducibility posed by such workflows. We extract workflow patterns, propose a set of tools to manage the entire life cycle of performance metadata, and aggregate them in an HPC-ready framework for reproducibility (RECUP). We describe the challenges in making these tools interoperable, preliminary work, and lessons learned from this experiment.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2019

An Analytical Method to Calculate Effective Elastic Properties of General Multifunctional Honeycomb Cores in Sandwich Composites

Sandwich composite structures are ideal configurations in which to incorporate additional functionality beyond load-carrying capabilities. The inner core-walls can be layered to incorporate other functions such as power storage for a battery. In this work we investigate an assemblage of analytical tools to compute effective properties that allow complex layered core architectures to be homogenized into a single continuum layer. This provides a great increase in computational efficiency to numerically simulate the structural response of multifunctional sandwich structures under applied loads. We present a coupled analytical method including an extensive numerical verification of the accuracy of this method.

Sather, Erik↗

NASA NTRS2019

Estimation of Effective Elastic Properties of General Multifunctional Honeycomb Structures Using a Unit Cell Method

Sandwich composite structures are ideal configurations in which to incorporate additional functionality beyond load carrying capabilities. The inner core can be layered to facilitate other functions such as power storage for a battery. In this work we investigate an assemblage of analytical tools to compute effective properties that allow complex layered core architectures to be homogenized into a single continuum layer. This provides a great increase in computational efficiency to numerically simulate the structural response of multifunctional sandwich structures under applied loads.

Krishnamurthy, T.↗