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RIACS

Topics considered include: high-performance computing; cognitive and perceptual prostheses (computational aids designed to leverage human abilities); autonomous systems. Also included: development of a 3D unstructured grid code based on a finite volume formulation and applied to the Navier-stokes equations; Cartesian grid methods for complex geometry; multigrid methods for solving elliptic problems on unstructured grids; algebraic non-overlapping domain decomposition methods for compressible fluid flow problems on unstructured meshes; numerical methods for the compressible navier-stokes equations with application to aerodynamic flows; research in aerodynamic shape optimization; S-HARP: a parallel dynamic spectral partitioner; numerical schemes for the Hamilton-Jacobi and level set equations on triangulated domains; application of high-order shock capturing schemes to direct simulation of turbulence; multicast technology; network testbeds; supercomputer consolidation project.

Oliger, Joseph↗

Initial Performance Results on IBM POWER6

The POWER5+ processor has a faster memory bus than that of the previous generation POWER5 processor (533 MHz vs. 400 MHz), but the measured per-core memory bandwidth of the latter is better than that of the former (5.7 GB/s vs. 4.3 GB/s). The reason for this is that in the POWER5+, the two cores on the chip share the L2 cache, L3 cache and memory bus. The memory controller is also on the chip and is shared by the two cores. This serializes the path to memory. For consistently good performance on a wide range of applications, the performance of the processor, the memory subsystem, and the interconnects (both latency and bandwidth) should be balanced. Recognizing this, IBM has designed the Power6 processor so as to avoid the bottlenecks due to the L2 cache, memory controller and buffer chips of the POWER5+. Unlike the POWER5+, each core in the POWER6 has its own L2 cache (4 MB - double that of the Power5+), memory controller and buffer chips. Each core in the POWER6 runs at 4.7 GHz instead of 1.9 GHz in POWER5+. In this paper, we evaluate the performance of a dual-core Power6 based IBM p6-570 system, and we compare its performance with that of a dual-core Power5+ based IBM p575+ system. In this evaluation, we have used the High- Performance Computing Challenge (HPCC) benchmarks, NAS Parallel Benchmarks (NPB), and four real-world applications--three from computational fluid dynamics and one from climate modeling.

Saini, Subbash↗

The Role of Multiphysics Simulation in Multidisciplinary Analysis

This article describes the applications of the Spectrum(Tm) Solver in Multidisciplinary Analysis (MDA). Spectrum, a multiphysics simulation software based on the finite element method, addresses compressible and incompressible fluid flow, structural, and thermal modeling as well as the interaction between these disciplines. Multiphysics simulation is based on a single computational framework for the modeling of multiple interacting physical phenomena. Interaction constraints are enforced in a fully-coupled manner using the augmented-Lagrangian method. Within the multiphysics framework, the finite element treatment of fluids is based on Galerkin-Least-Squares (GLS) method with discontinuity capturing operators. The arbitrary-Lagrangian-Eulerian method is utilized to account for deformable fluid domains. The finite element treatment of solids and structures is based on the Hu-Washizu variational principle. The multiphysics architecture lends itself naturally to high-performance parallel computing. Aeroelastic, propulsion, thermal management and manufacturing applications are presented.

Rifai, Steven M.↗

Relationships among classes of self-oscillating transistor parallel inverters

It recently has been shown in the literature that many dc-to-square-wave parallel inverters which are widely used in power-conditioning applications can be grouped into one of two families. Each family is characterized by an equivalent RLC network. Based on this approach, a classification procedure is presented for self-oscillating parallel inverters which makes evident natural relationships which exist between various inverter configurations. By utilizing concepts from the basic theory of negative resistance oscillators and the principle of duality as applied to nonlinear networks, a chain of relationships is established which enables a methodical transfer of knowledge gained about one family of inverters to any of the other families in the classification array.

Wilson, T. G.↗

An application of small-gap equations in sealing devices

The study of a thin, incompressible Newtonian fluid layer trapped between two almost parallel, sliding surfaces has been actively pursued in the last decades. This subject includes lubrication applications such as slider bearings or the sealing of non-pressurized fluids with rubber rotary shaft seals. In the present work we analyze numerically the flow of lubricant fluid through a micro-gap of sealing devices. The first stage of this study is carried out assuming that a 'small-gap' parameter delta attains an extreme value in the Navier-Stokes equations. The precise meaning of small-gap is achieved by the particular limit delta = 0 which, within the bounds of the hypotheses, predicts transport of lubricant through the sealed area by centrifugal instabilities. Numerical results obtained with the penalty function approximation in the finite element method are presented. In particular, the influence of inflow and outflow boundary conditions, and their impact in the simulated flow, are discussed.

Vionnet, Carlos A.↗

Overview of ICE Project: Integration of Computational Fluid Dynamics and Experiments

Researchers at the NASA Glenn Research Center have developed a prototype integrated environment for interactively exploring, analyzing, and validating information from computational fluid dynamics (CFD) computations and experiments. The Integrated CFD and Experiments (ICE) project is a first attempt at providing a researcher with a common user interface for control, manipulation, analysis, and data storage for both experiments and simulation. ICE can be used as a live, on-tine system that displays and archives data as they are gathered; as a postprocessing system for dataset manipulation and analysis; and as a control interface or "steering mechanism" for simulation codes while visualizing the results. Although the full capabilities of ICE have not been completely demonstrated, this report documents the current system. Various applications of ICE are discussed: a low-speed compressor, a supersonic inlet, real-time data visualization, and a parallel-processing simulation code interface. A detailed data model for the compressor application is included in the appendix.

Stegeman, James D.↗

Multiprocessor graphics computation and display using transputers

A package of two-dimensional graphics routines was developed to run on a transputer-based parallel processing system. These routines were designed to enable applications programmers to easily generate and display results from the transputer network in a graphic format. The graphics procedures were designed for the lowest possible network communication overhead for increased performance. The routines were designed for ease of use and to present an intuitive approach to generating graphics on the transputer parallel processing system.

Ellis, Graham K.↗

Concurrency-based approaches to parallel programming

The inevitable transition to parallel programming can be facilitated by appropriate tools, including languages and libraries. After describing the needs of applications developers, this paper presents three specific approaches aimed at development of efficient and reusable parallel software for irregular and dynamic-structured problems. A salient feature of all three approaches in their exploitation of concurrency within a processor. Benefits of individual approaches such as these can be leveraged by an interoperability environment which permits modules written using different approaches to co-exist in single applications.

Kale, L.V.↗

Trigger-based Incremental Data Processing with Unified Sync and Async Model

In recent years, more and more applications in the cloud have needs to process large-scale on-line datasets, which evolve over time as new entries are added and existing entries are modified. Several programming frameworks, such as Percolator and Oolong, are proposed for such incremental data processing and can achieve efficient processing with an event-driven abstraction. However, these frameworks are inherently asynchronous, leaving the heavy burden of managing synchronization to applications' developers, which further significantly restricts their usabilities. In this study, we propose a trigger-based incremental computing framework in the cloud, called Domino, with both synchronous and asynchronous mechanisms to coordinate parallel triggers. With this new framework, both synchronous and asynchronous applications can be seamlessly developed. Use cases and extensive evaluation results confirm that it can deliver sufficient performance, and also is easy to use for incremental applications in large-scale distributed computing.

97 MATHEMATICS AND COMPUTING↗

Analysis and comparison of wall cooling schemes for advanced gas turbine applications

The relative performance of (1) counterflow film cooling, (2) parallel-flow film cooling, (3) convection cooling, (4) adiabatic film cooling, (5) transpiration cooling, and (6) full-coverage film cooling was investigated for heat loading conditions expected in future gas turbine engines. Assumed in the analysis were hot-gas conditions of 2200 K (3500 F) recovery temperature, 5 to 40 atmospheres total pressure, and 0.6 gas Mach number and a cooling air supply temperature of 811 K (1000 F). The first three cooling methods involve film cooling from slots. Counterflow and parallel flow describe the direction of convection cooling air along the inside surface of the wall relative to the main gas flow direction. The importance of utilizing the heat sink available in the coolant for convection cooling prior to film injection is illustrated.

Colladay, R. S.↗

High performance computing applications in neurobiological research

The human nervous system is a massively parallel processor of information. The vast numbers of neurons, synapses and circuits is daunting to those seeking to understand the neural basis of consciousness and intellect. Pervading obstacles are lack of knowledge of the detailed, three-dimensional (3-D) organization of even a simple neural system and the paucity of large scale, biologically relevant computer simulations. We use high performance graphics workstations and supercomputers to study the 3-D organization of gravity sensors as a prototype architecture foreshadowing more complex systems. Scaled-down simulations run on a Silicon Graphics workstation and scale-up, three-dimensional versions run on the Cray Y-MP and CM5 supercomputers.

Ross, Muriel D.↗

High Resolution Aerospace Applications using the NASA Columbia Supercomputer

This paper focuses on the parallel performance of two high-performance aerodynamic simulation packages on the newly installed NASA Columbia supercomputer. These packages include both a high-fidelity, unstructured, Reynolds-averaged Navier-Stokes solver, and a fully-automated inviscid flow package for cut-cell Cartesian grids. The complementary combination of these two simulation codes enables high-fidelity characterization of aerospace vehicle design performance over the entire flight envelope through extensive parametric analysis and detailed simulation of critical regions of the flight envelope. Both packages. are industrial-level codes designed for complex geometry and incorpor.ats. CuStomized multigrid solution algorithms. The performance of these codes on Columbia is examined using both MPI and OpenMP and using both the NUMAlink and InfiniBand interconnect fabrics. Numerical results demonstrate good scalability on up to 2016 CPUs using the NUMAIink4 interconnect, with measured computational rates in the vicinity of 3 TFLOP/s, while InfiniBand showed some performance degradation at high CPU counts, particularly with multigrid. Nonetheless, the results are encouraging enough to indicate that larger test cases using combined MPI/OpenMP communication should scale well on even more processors.

Mavriplis, Dimitri J.↗

ConnectIt: a framework for static and incremental parallel graph connectivity algorithms

Connected components is a fundamental kernel in graph applications. The fastest existing multicore algorithms for solving graph connectivity are based on some form of edge sampling and/or linking and compressing trees. However, many combinations of these design choices have been left unexplored. In this paper, we design the ConnectIt framework, which provides different sampling strategies as well as various tree linking and compression schemes. ConnectIt enables us to obtain several hundred new variants of connectivity algorithms, most of which extend to computing spanning forest. In addition to static graphs, we also extend ConnectIt to support mixes of insertions and connectivity queries in the concurrent setting. We present an experimental evaluation of ConnectIt on a 72-core machine, which we believe is the most comprehensive evaluation of parallel connectivity algorithms to date. Compared to a collection of state-of-the-art static multicore algorithms, we obtain an average speedup of 12.4x (2.36x average speedup over the fastest existing implementation for each graph). Using ConnectIt, we are able to compute connectivity on the largest publicly-available graph (with over 3.5 billion vertices and 128 billion edges) in under 10 seconds using a 72-core machine, providing a 3.1x speedup over the fastest existing connectivity result for this graph, in any computational setting. For our incremental algorithms, we show that our algorithms can ingest graph updates at up to several billion edges per second. To guide the user in selecting the best variants in ConnectIt for different situations, we provide a detailed analysis of the different strategies. Finally, we show how the techniques in ConnectIt can be used to speed up two important graph applications: approximate minimum spanning forest and SCAN clustering.

Computer Science↗

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.↗

2022 American Conference on Neutron Scattering (ACNS 2022)

The 11th American Conference on Neutron Scattering (ACNS 2022) will be held on June 5-9, 2022, in Boulder, CO. The Conference will provide essential information on the breadth and depth of current neutron-related research worldwide. Hosted by the Neutron Scattering Society of America, this year’s Conference will feature a combination of invited and contributed talks, poster sessions, and tutorials. Topics of the conference are: Advances in Neutron Facilities, Instrumentation and Software: Developments in sources, instrumentation, sample environments and control software. Hard Condensed Matter: Magnetism, correlated metals, quantum/topological materials, superconductors, ferroelectrics, multiferroics, glasses, and disorder phenomena. Submissions outlining examples of neutron scattering in industrial and engineering applications involving hard condensed matter systems are also encouraged. Soft Matter: Neutron studies of soft materials and related fields including in situ and in operando studies. Polymers, surfactants, emulsions, gels, nanoparticles, colloidal suspensions and more. Submissions of computational studies or applications of machine learning beneficial to neutron scattering experiments, as well as examples of neutron scattering in industrial and engineering applications are strongly encouraged. Biology, Biophysics and Biotechnology: Neutron studies of biological and biologically relevant systems. Proteins, bio membranes, biological assemblies, natural materials, nucleic acids, drug-delivery platforms and biomedical systems. Submissions of computational studies or applications of machine learning beneficial to biological neutron scattering experiments, as well as examples of neutron scattering in applied research involving biological systems, are strongly encouraged. Materials Chemistry and Energy: Neutron-based studies of functional materials and materials for energy applications. Examples include porous materials such as metal organic frameworks (MOFs), zeolites; phosphors; novel pigments; electrolytes; catalysts; ionic conductors/cathode materials; photovoltaic materials (hybrid perovskites); thermoelectrics; magnetocalorics/electrocalorics. Structural Materials and Engineering: Neutron scattering studies of materials and engineering processes including structural materials, concrete and metals, as well as engineering processes including combustion, corrosion, additive manufacturing, and others. Neutron Physics: Fundamental physical studies of the neutron and related areas. Emerging Applications in Neutron Scattering: Machine Learning and Data Science: Advances in computing power have contributed to rapidly evolving machine learning and data science fields that can be leveraged to the benefit of the neutron scattering community. The purpose of this session is to highlight recent advances in machine learning and data science and to serve as the foundation of a parallel data and computation track highlighting computation advances and applications in neutron scattering throughout the conference.

36 MATERIALS SCIENCE↗