Color graphics, interactive processing, and the supercomputer

NASA Technical Reports Server (NTRS)

Smith-Taylor, Rudeen

1987-01-01

The development of a common graphics environment for the NASA Langley Research Center user community and the integration of a supercomputer into this environment is examined. The initial computer hardware, the software graphics packages, and their configurations are described. The addition of improved computer graphics capability to the supercomputer, and the utilization of the graphic software and hardware are discussed. Consideration is given to the interactive processing system which supports the computer in an interactive debugging, processing, and graphics environment.

Library Services in a Supercomputer Center.

ERIC Educational Resources Information Center

Layman, Mary

1991-01-01

Describes library services that are offered at the San Diego Supercomputer Center (SDSC), which is located at the University of California at San Diego. Topics discussed include the user population; online searching; microcomputer use; electronic networks; current awareness programs; library catalogs; and the slide collection. A sidebar outlines…

Will Moores law be sufficient?

DOE Office of Scientific and Technical Information (OSTI.GOV)

DeBenedictis, Erik P.

2004-07-01

It seems well understood that supercomputer simulation is an enabler for scientific discoveries, weapons, and other activities of value to society. It also seems widely believed that Moore's Law will make progressively more powerful supercomputers over time and thus enable more of these contributions. This paper seeks to add detail to these arguments, revealing them to be generally correct but not a smooth and effortless progression. This paper will review some key problems that can be solved with supercomputer simulation, showing that more powerful supercomputers will be useful up to a very high yet finite limit of around 1021 FLOPSmore » (1 Zettaflops) . The review will also show the basic nature of these extreme problems. This paper will review work by others showing that the theoretical maximum supercomputer power is very high indeed, but will explain how a straightforward extrapolation of Moore's Law will lead to technological maturity in a few decades. The power of a supercomputer at the maturity of Moore's Law will be very high by today's standards at 1016-1019 FLOPS (100 Petaflops to 10 Exaflops), depending on architecture, but distinctly below the level required for the most ambitious applications. Having established that Moore's Law will not be that last word in supercomputing, this paper will explore the nearer term issue of what a supercomputer will look like at maturity of Moore's Law. Our approach will quantify the maximum performance as permitted by the laws of physics for extension of current technology and then find a design that approaches this limit closely. We study a 'multi-architecture' for supercomputers that combines a microprocessor with other 'advanced' concepts and find it can reach the limits as well. This approach should be quite viable in the future because the microprocessor would provide compatibility with existing codes and programming styles while the 'advanced' features would provide a boost to the limits of performance.« less

Technology advances and market forces: Their impact on high performance architectures

NASA Technical Reports Server (NTRS)

Best, D. R.

1978-01-01

Reasonable projections into future supercomputer architectures and technology require an analysis of the computer industry market environment, the current capabilities and trends within the component industry, and the research activities on computer architecture in the industrial and academic communities. Management, programmer, architect, and user must cooperate to increase the efficiency of supercomputer development efforts. Care must be taken to match the funding, compiler, architecture and application with greater attention to testability, maintainability, reliability, and usability than supercomputer development programs of the past.

Extensible Computational Chemistry Environment

DOE Office of Scientific and Technical Information (OSTI.GOV)

2012-08-09

ECCE provides a sophisticated graphical user interface, scientific visualization tools, and the underlying data management framework enabling scientists to efficiently set up calculations and store, retrieve, and analyze the rapidly growing volumes of data produced by computational chemistry studies. ECCE was conceived as part of the Environmental Molecular Sciences Laboratory construction to solve the problem of researchers being able to effectively utilize complex computational chemistry codes and massively parallel high performance compute resources. Bringing the power of these codes and resources to the desktops of researcher and thus enabling world class research without users needing a detailed understanding of themore » inner workings of either the theoretical codes or the supercomputers needed to run them was a grand challenge problem in the original version of the EMSL. ECCE allows collaboration among researchers using a web-based data repository where the inputs and results for all calculations done within ECCE are organized. ECCE is a first of kind end-to-end problem solving environment for all phases of computational chemistry research: setting up calculations with sophisticated GUI and direct manipulation visualization tools, submitting and monitoring calculations on remote high performance supercomputers without having to be familiar with the details of using these compute resources, and performing results visualization and analysis including creating publication quality images. ECCE is a suite of tightly integrated applications that are employed as the user moves through the modeling process.« less

Scaling of data communications for an advanced supercomputer network

NASA Technical Reports Server (NTRS)

Levin, E.; Eaton, C. K.; Young, Bruce

1986-01-01

The goal of NASA's Numerical Aerodynamic Simulation (NAS) Program is to provide a powerful computational environment for advanced research and development in aeronautics and related disciplines. The present NAS system consists of a Cray 2 supercomputer connected by a data network to a large mass storage system, to sophisticated local graphics workstations and by remote communication to researchers throughout the United States. The program plan is to continue acquiring the most powerful supercomputers as they become available. The implications of a projected 20-fold increase in processing power on the data communications requirements are described.

High-Performance Computing User Facility | Computational Science | NREL

Science.gov Websites

User Facility High-Performance Computing User Facility The High-Performance Computing User Facility technologies. Photo of the Peregrine supercomputer The High Performance Computing (HPC) User Facility provides Gyrfalcon Mass Storage System. Access Our HPC User Facility Learn more about these systems and how to access

Next Generation Security for the 10,240 Processor Columbia System

NASA Technical Reports Server (NTRS)

Hinke, Thomas; Kolano, Paul; Shaw, Derek; Keller, Chris; Tweton, Dave; Welch, Todd; Liu, Wen (Betty)

2005-01-01

This presentation includes a discussion of the Columbia 10,240-processor system located at the NASA Advanced Supercomputing (NAS) division at the NASA Ames Research Center which supports each of NASA's four missions: science, exploration systems, aeronautics, and space operations. It is comprised of 20 Silicon Graphics nodes, each consisting of 512 Itanium II processors. A 64 processor Columbia front-end system supports users as they prepare their jobs and then submits them to the PBS system. Columbia nodes and front-end systems use the Linux OS. Prior to SC04, the Columbia system was used to attain a processing speed of 51.87 TeraFlops, which made it number two on the Top 500 list of the world's supercomputers and the world's fastest "operational" supercomputer since it was fully engaged in supporting NASA users.

The Age of the Supercomputer Gives Way to the Age of the Super Infrastructure.

ERIC Educational Resources Information Center

Young, Jeffrey R.

1997-01-01

In October 1997, the National Science Foundation will discontinue financial support for two university-based supercomputer facilities to concentrate resources on partnerships led by facilities at the University of California, San Diego and the University of Illinois, Urbana-Champaign. The reconfigured program will develop more user-friendly and…

National Test Facility civilian agency use of supercomputers not feasible

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

1994-12-01

Based on interviews with civilian agencies cited in the House report (DOE, DoEd, HHS, FEMA, NOAA), none would be able to make effective use of NTF`s excess supercomputing capabilities. These agencies stated they could not use the resources primarily because (1) NTF`s supercomputers are older machines whose performance and costs cannot match those of more advanced computers available from other sources and (2) some agencies have not yet developed applications requiring supercomputer capabilities or do not have funding to support such activities. In addition, future support for the hardware and software at NTF is uncertain, making any investment by anmore » outside user risky.« less

Final Scientific Report: A Scalable Development Environment for Peta-Scale Computing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Karbach, Carsten; Frings, Wolfgang

2013-02-22

This document is the final scientific report of the project DE-SC000120 (A scalable Development Environment for Peta-Scale Computing). The objective of this project is the extension of the Parallel Tools Platform (PTP) for applying it to peta-scale systems. PTP is an integrated development environment for parallel applications. It comprises code analysis, performance tuning, parallel debugging and system monitoring. The contribution of the Juelich Supercomputing Centre (JSC) aims to provide a scalable solution for system monitoring of supercomputers. This includes the development of a new communication protocol for exchanging status data between the target remote system and the client running PTP.more » The communication has to work for high latency. PTP needs to be implemented robustly and should hide the complexity of the supercomputer's architecture in order to provide a transparent access to various remote systems via a uniform user interface. This simplifies the porting of applications to different systems, because PTP functions as abstraction layer between parallel application developer and compute resources. The common requirement for all PTP components is that they have to interact with the remote supercomputer. E.g. applications are built remotely and performance tools are attached to job submissions and their output data resides on the remote system. Status data has to be collected by evaluating outputs of the remote job scheduler and the parallel debugger needs to control an application executed on the supercomputer. The challenge is to provide this functionality for peta-scale systems in real-time. The client server architecture of the established monitoring application LLview, developed by the JSC, can be applied to PTP's system monitoring. LLview provides a well-arranged overview of the supercomputer's current status. A set of statistics, a list of running and queued jobs as well as a node display mapping running jobs to their compute resources form the user display of LLview. These monitoring features have to be integrated into the development environment. Besides showing the current status PTP's monitoring also needs to allow for submitting and canceling user jobs. Monitoring peta-scale systems especially deals with presenting the large amount of status data in a useful manner. Users require to select arbitrary levels of detail. The monitoring views have to provide a quick overview of the system state, but also need to allow for zooming into specific parts of the system, into which the user is interested in. At present, the major batch systems running on supercomputers are PBS, TORQUE, ALPS and LoadLeveler, which have to be supported by both the monitoring and the job controlling component. Finally, PTP needs to be designed as generic as possible, so that it can be extended for future batch systems.« less

GREEN SUPERCOMPUTING IN A DESKTOP BOX

DOE Office of Scientific and Technical Information (OSTI.GOV)

HSU, CHUNG-HSING; FENG, WU-CHUN; CHING, AVERY

2007-01-17

The computer workstation, introduced by Sun Microsystems in 1982, was the tool of choice for scientists and engineers as an interactive computing environment for the development of scientific codes. However, by the mid-1990s, the performance of workstations began to lag behind high-end commodity PCs. This, coupled with the disappearance of BSD-based operating systems in workstations and the emergence of Linux as an open-source operating system for PCs, arguably led to the demise of the workstation as we knew it. Around the same time, computational scientists started to leverage PCs running Linux to create a commodity-based (Beowulf) cluster that provided dedicatedmore » computer cycles, i.e., supercomputing for the rest of us, as a cost-effective alternative to large supercomputers, i.e., supercomputing for the few. However, as the cluster movement has matured, with respect to cluster hardware and open-source software, these clusters have become much more like their large-scale supercomputing brethren - a shared (and power-hungry) datacenter resource that must reside in a machine-cooled room in order to operate properly. Consequently, the above observations, when coupled with the ever-increasing performance gap between the PC and cluster supercomputer, provide the motivation for a 'green' desktop supercomputer - a turnkey solution that provides an interactive and parallel computing environment with the approximate form factor of a Sun SPARCstation 1 'pizza box' workstation. In this paper, they present the hardware and software architecture of such a solution as well as its prowess as a developmental platform for parallel codes. In short, imagine a 12-node personal desktop supercomputer that achieves 14 Gflops on Linpack but sips only 185 watts of power at load, resulting in a performance-power ratio that is over 300% better than their reference SMP platform.« less

Organizational Strategies for End-User Computing Support.

ERIC Educational Resources Information Center

Blackmun, Robert R.; And Others

1988-01-01

Effective support for end users of computers has been an important issue in higher education from the first applications of general purpose mainframe computers through minicomputers, microcomputers, and supercomputers. The development of end user support is reviewed and organizational models are examined. (Author/MLW)

Porting Ordinary Applications to Blue Gene/Q Supercomputers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maheshwari, Ketan C.; Wozniak, Justin M.; Armstrong, Timothy

2015-08-31

Efficiently porting ordinary applications to Blue Gene/Q supercomputers is a significant challenge. Codes are often originally developed without considering advanced architectures and related tool chains. Science needs frequently lead users to want to run large numbers of relatively small jobs (often called many-task computing, an ensemble, or a workflow), which can conflict with supercomputer configurations. In this paper, we discuss techniques developed to execute ordinary applications over leadership class supercomputers. We use the high-performance Swift parallel scripting framework and build two workflow execution techniques-sub-jobs and main-wrap. The sub-jobs technique, built on top of the IBM Blue Gene/Q resource manager Cobalt'smore » sub-block jobs, lets users submit multiple, independent, repeated smaller jobs within a single larger resource block. The main-wrap technique is a scheme that enables C/C++ programs to be defined as functions that are wrapped by a high-performance Swift wrapper and that are invoked as a Swift script. We discuss the needs, benefits, technicalities, and current limitations of these techniques. We further discuss the real-world science enabled by these techniques and the results obtained.« less

Energy Efficient Supercomputing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anypas, Katie

2014-10-17

Katie Anypas, Head of NERSC's Services Department discusses the Lab's research into developing increasingly powerful and energy efficient supercomputers at our '8 Big Ideas' Science at the Theater event on October 8th, 2014, in Oakland, California.

Energy Efficient Supercomputing

ScienceCinema

Anypas, Katie

2018-05-07

Katie Anypas, Head of NERSC's Services Department discusses the Lab's research into developing increasingly powerful and energy efficient supercomputers at our '8 Big Ideas' Science at the Theater event on October 8th, 2014, in Oakland, California.

On-demand Simulation of Atmospheric Transport Processes on the AlpEnDAC Cloud

NASA Astrophysics Data System (ADS)

Hachinger, S.; Harsch, C.; Meyer-Arnek, J.; Frank, A.; Heller, H.; Giemsa, E.

2016-12-01

The "Alpine Environmental Data Analysis Centre" (AlpEnDAC) develops a data-analysis platform for high-altitude research facilities within the "Virtual Alpine Observatory" project (VAO). This platform, with its web portal, will support use cases going much beyond data management: On user request, the data are augmented with "on-demand" simulation results, such as air-parcel trajectories for tracing down the source of pollutants when they appear in high concentration. The respective back-end mechanism uses the Compute Cloud of the Leibniz Supercomputing Centre (LRZ) to transparently calculate results requested by the user, as far as they have not yet been stored in AlpEnDAC. The queuing-system operation model common in supercomputing is replaced by a model in which Virtual Machines (VMs) on the cloud are automatically created/destroyed, providing the necessary computing power immediately on demand. From a security point of view, this allows to perform simulations in a sandbox defined by the VM configuration, without direct access to a computing cluster. Within few minutes, the user receives conveniently visualized results. The AlpEnDAC infrastructure is distributed among two participating institutes [front-end at German Aerospace Centre (DLR), simulation back-end at LRZ], requiring an efficient mechanism for synchronization of measured and augmented data. We discuss our iRODS-based solution for these data-management tasks as well as the general AlpEnDAC framework. Our cloud-based offerings aim at making scientific computing for our users much more convenient and flexible than it has been, and to allow scientists without a broad background in scientific computing to benefit from complex numerical simulations.

Code IN Exhibits - Supercomputing 2000

NASA Technical Reports Server (NTRS)

Yarrow, Maurice; McCann, Karen M.; Biswas, Rupak; VanderWijngaart, Rob F.; Kwak, Dochan (Technical Monitor)

2000-01-01

The creation of parameter study suites has recently become a more challenging problem as the parameter studies have become multi-tiered and the computational environment has become a supercomputer grid. The parameter spaces are vast, the individual problem sizes are getting larger, and researchers are seeking to combine several successive stages of parameterization and computation. Simultaneously, grid-based computing offers immense resource opportunities but at the expense of great difficulty of use. We present ILab, an advanced graphical user interface approach to this problem. Our novel strategy stresses intuitive visual design tools for parameter study creation and complex process specification, and also offers programming-free access to grid-based supercomputer resources and process automation.

LLMapReduce: Multi-Lingual Map-Reduce for Supercomputing Environments

DTIC Science & Technology

2015-11-20

1990s. Popularized by Google [36] and Apache Hadoop [37], map-reduce has become a staple technology of the ever- growing big data community...Lexington, MA, U.S.A Abstract— The map-reduce parallel programming model has become extremely popular in the big data community. Many big data ...to big data users running on a supercomputer. LLMapReduce dramatically simplifies map-reduce programming by providing simple parallel programming

Application-level regression testing framework using Jenkins

DOE PAGES

Budiardja, Reuben; Bouvet, Timothy; Arnold, Galen

2017-09-26

Monitoring and testing for regression of large-scale systems such as the NCSA's Blue Waters supercomputer are challenging tasks. In this paper, we describe the solution we came up with to perform those tasks. The goal was to find an automated solution for running user-level regression tests to evaluate system usability and performance. Jenkins, an automation server software, was chosen for its versatility, large user base, and multitude of plugins including collecting data and plotting test results over time. We also describe our Jenkins deployment to launch and monitor jobs on remote HPC system, perform authentication with one-time password, and integratemore » with our LDAP server for its authorization. We show some use cases and describe our best practices for successfully using Jenkins as a user-level system-wide regression testing and monitoring framework for large supercomputer systems.« less

Application-level regression testing framework using Jenkins

DOE Office of Scientific and Technical Information (OSTI.GOV)

Budiardja, Reuben; Bouvet, Timothy; Arnold, Galen

Monitoring and testing for regression of large-scale systems such as the NCSA's Blue Waters supercomputer are challenging tasks. In this paper, we describe the solution we came up with to perform those tasks. The goal was to find an automated solution for running user-level regression tests to evaluate system usability and performance. Jenkins, an automation server software, was chosen for its versatility, large user base, and multitude of plugins including collecting data and plotting test results over time. We also describe our Jenkins deployment to launch and monitor jobs on remote HPC system, perform authentication with one-time password, and integratemore » with our LDAP server for its authorization. We show some use cases and describe our best practices for successfully using Jenkins as a user-level system-wide regression testing and monitoring framework for large supercomputer systems.« less

Supercomputations and big-data analysis in strong-field ultrafast optical physics: filamentation of high-peak-power ultrashort laser pulses

NASA Astrophysics Data System (ADS)

Voronin, A. A.; Panchenko, V. Ya; Zheltikov, A. M.

2016-06-01

High-intensity ultrashort laser pulses propagating in gas media or in condensed matter undergo complex nonlinear spatiotemporal evolution where temporal transformations of optical field waveforms are strongly coupled to an intricate beam dynamics and ultrafast field-induced ionization processes. At the level of laser peak powers orders of magnitude above the critical power of self-focusing, the beam exhibits modulation instabilities, producing random field hot spots and breaking up into multiple noise-seeded filaments. This problem is described by a (3  +  1)-dimensional nonlinear field evolution equation, which needs to be solved jointly with the equation for ultrafast ionization of a medium. Analysis of this problem, which is equivalent to solving a billion-dimensional evolution problem, is only possible by means of supercomputer simulations augmented with coordinated big-data processing of large volumes of information acquired through theory-guiding experiments and supercomputations. Here, we review the main challenges of supercomputations and big-data processing encountered in strong-field ultrafast optical physics and discuss strategies to confront these challenges.

High Performance Distributed Computing in a Supercomputer Environment: Computational Services and Applications Issues

NASA Technical Reports Server (NTRS)

Kramer, Williams T. C.; Simon, Horst D.

1994-01-01

This tutorial proposes to be a practical guide for the uninitiated to the main topics and themes of high-performance computing (HPC), with particular emphasis to distributed computing. The intent is first to provide some guidance and directions in the rapidly increasing field of scientific computing using both massively parallel and traditional supercomputers. Because of their considerable potential computational power, loosely or tightly coupled clusters of workstations are increasingly considered as a third alternative to both the more conventional supercomputers based on a small number of powerful vector processors, as well as high massively parallel processors. Even though many research issues concerning the effective use of workstation clusters and their integration into a large scale production facility are still unresolved, such clusters are already used for production computing. In this tutorial we will utilize the unique experience made at the NAS facility at NASA Ames Research Center. Over the last five years at NAS massively parallel supercomputers such as the Connection Machines CM-2 and CM-5 from Thinking Machines Corporation and the iPSC/860 (Touchstone Gamma Machine) and Paragon Machines from Intel were used in a production supercomputer center alongside with traditional vector supercomputers such as the Cray Y-MP and C90.

NAS technical summaries: Numerical aerodynamic simulation program, March 1991 - February 1992

NASA Technical Reports Server (NTRS)

1992-01-01

NASA created the Numerical Aerodynamic Simulation (NAS) Program in 1987 to focus resources on solving critical problems in aeroscience and related disciplines by utilizing the power of the most advanced supercomputers available. The NAS Program provides scientists with the necessary computing power to solve today's most demanding computational fluid dynamics problems and serves as a pathfinder in integrating leading-edge supercomputing technologies, thus benefiting other supercomputer centers in Government and industry. This report contains selected scientific results from the 1991-92 NAS Operational Year, March 4, 1991 to March 3, 1992, which is the fifth year of operation. During this year, the scientific community was given access to a Cray-2 and a Cray Y-MP. The Cray-2, the first generation supercomputer, has four processors, 256 megawords of central memory, and a total sustained speed of 250 million floating point operations per second. The Cray Y-MP, the second generation supercomputer, has eight processors and a total sustained speed of one billion floating point operations per second. Additional memory was installed this year, doubling capacity from 128 to 256 megawords of solid-state storage-device memory. Because of its higher performance, the Cray Y-MP delivered approximately 77 percent of the total number of supercomputer hours used during this year.

CONVEX mini manual

NASA Technical Reports Server (NTRS)

Tennille, Geoffrey M.; Howser, Lona M.

1993-01-01

The use of the CONVEX computers that are an integral part of the Supercomputing Network Subsystems (SNS) of the Central Scientific Computing Complex of LaRC is briefly described. Features of the CONVEX computers that are significantly different than the CRAY supercomputers are covered, including: FORTRAN, C, architecture of the CONVEX computers, the CONVEX environment, batch job submittal, debugging, performance analysis, utilities unique to CONVEX, and documentation. This revision reflects the addition of the Applications Compiler and X-based debugger, CXdb. The document id intended for all CONVEX users as a ready reference to frequently asked questions and to more detailed information contained with the vendor manuals. It is appropriate for both the novice and the experienced user.

Qualifying for the Green500: Experience with the newest generation of supercomputers at LANL

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yilk, Todd

The High Performance Computing Division of Los Alamos National Laboratory recently brought four new supercomputing platforms on line: Trinity with separate partitions built around the Haswell and Knights Landing CPU architectures for capability computing and Grizzly, Fire, and Ice for capacity computing applications. The power monitoring infrastructure of these machines is significantly enhanced over previous supercomputing generations at LANL and all were qualified at the highest level of the Green500 benchmark. Here, this paper discusses supercomputing at LANL, the Green500 benchmark, and notes on our experience meeting the Green500's reporting requirements.

Qualifying for the Green500: Experience with the newest generation of supercomputers at LANL

DOE PAGES

Yilk, Todd

2018-02-17

The High Performance Computing Division of Los Alamos National Laboratory recently brought four new supercomputing platforms on line: Trinity with separate partitions built around the Haswell and Knights Landing CPU architectures for capability computing and Grizzly, Fire, and Ice for capacity computing applications. The power monitoring infrastructure of these machines is significantly enhanced over previous supercomputing generations at LANL and all were qualified at the highest level of the Green500 benchmark. Here, this paper discusses supercomputing at LANL, the Green500 benchmark, and notes on our experience meeting the Green500's reporting requirements.

NETL - Supercomputing: NETL Simulation Based Engineering User Center (SBEUC)

ScienceCinema

None

2018-02-07

NETL's Simulation-Based Engineering User Center, or SBEUC, integrates one of the world's largest high-performance computers with an advanced visualization center. The SBEUC offers a collaborative environment among researchers at NETL sites and those working through the NETL-Regional University Alliance.

NETL - Supercomputing: NETL Simulation Based Engineering User Center (SBEUC)

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

2013-09-30

NETL's Simulation-Based Engineering User Center, or SBEUC, integrates one of the world's largest high-performance computers with an advanced visualization center. The SBEUC offers a collaborative environment among researchers at NETL sites and those working through the NETL-Regional University Alliance.

NAS Technical Summaries, March 1993 - February 1994

NASA Technical Reports Server (NTRS)

1995-01-01

NASA created the Numerical Aerodynamic Simulation (NAS) Program in 1987 to focus resources on solving critical problems in aeroscience and related disciplines by utilizing the power of the most advanced supercomputers available. The NAS Program provides scientists with the necessary computing power to solve today's most demanding computational fluid dynamics problems and serves as a pathfinder in integrating leading-edge supercomputing technologies, thus benefitting other supercomputer centers in government and industry. The 1993-94 operational year concluded with 448 high-speed processor projects and 95 parallel projects representing NASA, the Department of Defense, other government agencies, private industry, and universities. This document provides a glimpse at some of the significant scientific results for the year.

NAS technical summaries. Numerical aerodynamic simulation program, March 1992 - February 1993

NASA Technical Reports Server (NTRS)

1994-01-01

NASA created the Numerical Aerodynamic Simulation (NAS) Program in 1987 to focus resources on solving critical problems in aeroscience and related disciplines by utilizing the power of the most advanced supercomputers available. The NAS Program provides scientists with the necessary computing power to solve today's most demanding computational fluid dynamics problems and serves as a pathfinder in integrating leading-edge supercomputing technologies, thus benefitting other supercomputer centers in government and industry. The 1992-93 operational year concluded with 399 high-speed processor projects and 91 parallel projects representing NASA, the Department of Defense, other government agencies, private industry, and universities. This document provides a glimpse at some of the significant scientific results for the year.

Toward an automated parallel computing environment for geosciences

NASA Astrophysics Data System (ADS)

Zhang, Huai; Liu, Mian; Shi, Yaolin; Yuen, David A.; Yan, Zhenzhen; Liang, Guoping

2007-08-01

Software for geodynamic modeling has not kept up with the fast growing computing hardware and network resources. In the past decade supercomputing power has become available to most researchers in the form of affordable Beowulf clusters and other parallel computer platforms. However, to take full advantage of such computing power requires developing parallel algorithms and associated software, a task that is often too daunting for geoscience modelers whose main expertise is in geosciences. We introduce here an automated parallel computing environment built on open-source algorithms and libraries. Users interact with this computing environment by specifying the partial differential equations, solvers, and model-specific properties using an English-like modeling language in the input files. The system then automatically generates the finite element codes that can be run on distributed or shared memory parallel machines. This system is dynamic and flexible, allowing users to address different problems in geosciences. It is capable of providing web-based services, enabling users to generate source codes online. This unique feature will facilitate high-performance computing to be integrated with distributed data grids in the emerging cyber-infrastructures for geosciences. In this paper we discuss the principles of this automated modeling environment and provide examples to demonstrate its versatility.

Achieving supercomputer performance for neural net simulation with an array of digital signal processors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Muller, U.A.; Baumle, B.; Kohler, P.

1992-10-01

Music, a DSP-based system with a parallel distributed-memory architecture, provides enormous computing power yet retains the flexibility of a general-purpose computer. Reaching a peak performance of 2.7 Gflops at a significantly lower cost, power consumption, and space requirement than conventional supercomputers, Music is well suited to computationally intensive applications such as neural network simulation. 12 refs., 9 figs., 2 tabs.

Review of NASA's (National Aeronautics and Space Administration) Numerical Aerodynamic Simulation Program

NASA Technical Reports Server (NTRS)

1984-01-01

NASA has planned a supercomputer for computational fluid dynamics research since the mid-1970's. With the approval of the Numerical Aerodynamic Simulation Program as a FY 1984 new start, Congress requested an assessment of the program's objectives, projected short- and long-term uses, program design, computer architecture, user needs, and handling of proprietary and classified information. Specifically requested was an examination of the merits of proceeding with multiple high speed processor (HSP) systems contrasted with a single high speed processor system. The panel found NASA's objectives and projected uses sound and the projected distribution of users as realistic as possible at this stage. The multiple-HSP, whereby new, more powerful state-of-the-art HSP's would be integrated into a flexible network, was judged to present major advantages over any single HSP system.

Adventures in Computational Grids

NASA Technical Reports Server (NTRS)

Walatka, Pamela P.; Biegel, Bryan A. (Technical Monitor)

2002-01-01

Sometimes one supercomputer is not enough. Or your local supercomputers are busy, or not configured for your job. Or you don't have any supercomputers. You might be trying to simulate worldwide weather changes in real time, requiring more compute power than you could get from any one machine. Or you might be collecting microbiological samples on an island, and need to examine them with a special microscope located on the other side of the continent. These are the times when you need a computational grid.

Earth and environmental science in the 1980's: Part 1: Environmental data systems, supercomputer facilities and networks

NASA Technical Reports Server (NTRS)

1986-01-01

Overview descriptions of on-line environmental data systems, supercomputer facilities, and networks are presented. Each description addresses the concepts of content, capability, and user access relevant to the point of view of potential utilization by the Earth and environmental science community. The information on similar systems or facilities is presented in parallel fashion to encourage and facilitate intercomparison. In addition, summary sheets are given for each description, and a summary table precedes each section.

Accessing Wind Tunnels From NASA's Information Power Grid

NASA Technical Reports Server (NTRS)

Becker, Jeff; Biegel, Bryan (Technical Monitor)

2002-01-01

The NASA Ames wind tunnel customers are one of the first users of the Information Power Grid (IPG) storage system at the NASA Advanced Supercomputing Division. We wanted to be able to store their data on the IPG so that it could be accessed remotely in a secure but timely fashion. In addition, incorporation into the IPG allows future use of grid computational resources, e.g., for post-processing of data, or to do side-by-side CFD validation. In this paper, we describe the integration of grid data access mechanisms with the existing DARWIN web-based system that is used to access wind tunnel test data. We also show that the combined system has reasonable performance: wind tunnel data may be retrieved at 50Mbits/s over a 100 base T network connected to the IPG storage server.

PerSEUS: Ultra-Low-Power High Performance Computing for Plasma Simulations

NASA Astrophysics Data System (ADS)

Doxas, I.; Andreou, A.; Lyon, J.; Angelopoulos, V.; Lu, S.; Pritchett, P. L.

2017-12-01

Peta-op SupErcomputing Unconventional System (PerSEUS) aims to explore the use for High Performance Scientific Computing (HPC) of ultra-low-power mixed signal unconventional computational elements developed by Johns Hopkins University (JHU), and demonstrate that capability on both fluid and particle Plasma codes. We will describe the JHU Mixed-signal Unconventional Supercomputing Elements (MUSE), and report initial results for the Lyon-Fedder-Mobarry (LFM) global magnetospheric MHD code, and a UCLA general purpose relativistic Particle-In-Cell (PIC) code.

An Interface for Biomedical Big Data Processing on the Tianhe-2 Supercomputer.

PubMed

Yang, Xi; Wu, Chengkun; Lu, Kai; Fang, Lin; Zhang, Yong; Li, Shengkang; Guo, Guixin; Du, YunFei

2017-12-01

Big data, cloud computing, and high-performance computing (HPC) are at the verge of convergence. Cloud computing is already playing an active part in big data processing with the help of big data frameworks like Hadoop and Spark. The recent upsurge of high-performance computing in China provides extra possibilities and capacity to address the challenges associated with big data. In this paper, we propose Orion-a big data interface on the Tianhe-2 supercomputer-to enable big data applications to run on Tianhe-2 via a single command or a shell script. Orion supports multiple users, and each user can launch multiple tasks. It minimizes the effort needed to initiate big data applications on the Tianhe-2 supercomputer via automated configuration. Orion follows the "allocate-when-needed" paradigm, and it avoids the idle occupation of computational resources. We tested the utility and performance of Orion using a big genomic dataset and achieved a satisfactory performance on Tianhe-2 with very few modifications to existing applications that were implemented in Hadoop/Spark. In summary, Orion provides a practical and economical interface for big data processing on Tianhe-2.

Data communication requirements for the advanced NAS network

NASA Technical Reports Server (NTRS)

Levin, Eugene; Eaton, C. K.; Young, Bruce

1986-01-01

The goal of the Numerical Aerodynamic Simulation (NAS) Program is to provide a powerful computational environment for advanced research and development in aeronautics and related disciplines. The present NAS system consists of a Cray 2 supercomputer connected by a data network to a large mass storage system, to sophisticated local graphics workstations, and by remote communications to researchers throughout the United States. The program plan is to continue acquiring the most powerful supercomputers as they become available. In the 1987/1988 time period it is anticipated that a computer with 4 times the processing speed of a Cray 2 will be obtained and by 1990 an additional supercomputer with 16 times the speed of the Cray 2. The implications of this 20-fold increase in processing power on the data communications requirements are described. The analysis was based on models of the projected workload and system architecture. The results are presented together with the estimates of their sensitivity to assumptions inherent in the models.

PNNL streamlines energy-guzzling computers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beckman, Mary T.; Marquez, Andres

In a room the size of a garage, two rows of six-foot-tall racks holding supercomputer hard drives sit back-to-back. Thin tubes and wires snake off the hard drives, slithering into the corners. Stepping between the rows, a rush of heat whips around you -- the air from fans blowing off processing heat. But walk farther in, between the next racks of hard drives, and the temperature drops noticeably. These drives are being cooled by a non-conducting liquid that runs right over the hardworking processors. The liquid carries the heat away in tubes, saving the air a few degrees. This ismore » the Energy Smart Data Center at Pacific Northwest National Laboratory. The bigger, faster, and meatier supercomputers get, the more energy they consume. PNNL's Andres Marquez has developed this test bed to learn how to train the behemoths in energy efficiency. The work will help supercomputers perform better as well. Processors have to keep cool or suffer from "thermal throttling," says Marquez. "That's the performance threshold where the computer is too hot to run well. That threshold is an industry secret." The center at EMSL, DOE's national scientific user facility at PNNL, harbors several ways of experimenting with energy usage. For example, the room's air conditioning is isolated from the rest of EMSL -- pipes running beneath the floor carry temperature-controlled water through heat exchangers to cooling towers outside. "We can test whether it's more energy efficient to cool directly on the processing chips or out in the water tower," says Marquez. The hard drives feed energy and temperature data to a network server running specially designed software that controls and monitors the data center. To test the center’s limits, the team runs the processors flat out – not only on carefully controlled test programs in the Energy Smart computers, but also on real world software from other EMSL research, such as regional weather forecasting models. Marquez's group is also developing "power aware computing", where the computer programs themselves perform calculations more energy efficiently. Maybe once computers get smart about energy, they'll have tips for their users.« less

DDBJ read annotation pipeline: a cloud computing-based pipeline for high-throughput analysis of next-generation sequencing data.

PubMed

Nagasaki, Hideki; Mochizuki, Takako; Kodama, Yuichi; Saruhashi, Satoshi; Morizaki, Shota; Sugawara, Hideaki; Ohyanagi, Hajime; Kurata, Nori; Okubo, Kousaku; Takagi, Toshihisa; Kaminuma, Eli; Nakamura, Yasukazu

2013-08-01

High-performance next-generation sequencing (NGS) technologies are advancing genomics and molecular biological research. However, the immense amount of sequence data requires computational skills and suitable hardware resources that are a challenge to molecular biologists. The DNA Data Bank of Japan (DDBJ) of the National Institute of Genetics (NIG) has initiated a cloud computing-based analytical pipeline, the DDBJ Read Annotation Pipeline (DDBJ Pipeline), for a high-throughput annotation of NGS reads. The DDBJ Pipeline offers a user-friendly graphical web interface and processes massive NGS datasets using decentralized processing by NIG supercomputers currently free of charge. The proposed pipeline consists of two analysis components: basic analysis for reference genome mapping and de novo assembly and subsequent high-level analysis of structural and functional annotations. Users may smoothly switch between the two components in the pipeline, facilitating web-based operations on a supercomputer for high-throughput data analysis. Moreover, public NGS reads of the DDBJ Sequence Read Archive located on the same supercomputer can be imported into the pipeline through the input of only an accession number. This proposed pipeline will facilitate research by utilizing unified analytical workflows applied to the NGS data. The DDBJ Pipeline is accessible at http://p.ddbj.nig.ac.jp/.

DDBJ Read Annotation Pipeline: A Cloud Computing-Based Pipeline for High-Throughput Analysis of Next-Generation Sequencing Data

PubMed Central

Nagasaki, Hideki; Mochizuki, Takako; Kodama, Yuichi; Saruhashi, Satoshi; Morizaki, Shota; Sugawara, Hideaki; Ohyanagi, Hajime; Kurata, Nori; Okubo, Kousaku; Takagi, Toshihisa; Kaminuma, Eli; Nakamura, Yasukazu

2013-01-01

High-performance next-generation sequencing (NGS) technologies are advancing genomics and molecular biological research. However, the immense amount of sequence data requires computational skills and suitable hardware resources that are a challenge to molecular biologists. The DNA Data Bank of Japan (DDBJ) of the National Institute of Genetics (NIG) has initiated a cloud computing-based analytical pipeline, the DDBJ Read Annotation Pipeline (DDBJ Pipeline), for a high-throughput annotation of NGS reads. The DDBJ Pipeline offers a user-friendly graphical web interface and processes massive NGS datasets using decentralized processing by NIG supercomputers currently free of charge. The proposed pipeline consists of two analysis components: basic analysis for reference genome mapping and de novo assembly and subsequent high-level analysis of structural and functional annotations. Users may smoothly switch between the two components in the pipeline, facilitating web-based operations on a supercomputer for high-throughput data analysis. Moreover, public NGS reads of the DDBJ Sequence Read Archive located on the same supercomputer can be imported into the pipeline through the input of only an accession number. This proposed pipeline will facilitate research by utilizing unified analytical workflows applied to the NGS data. The DDBJ Pipeline is accessible at http://p.ddbj.nig.ac.jp/. PMID:23657089

Finite element methods on supercomputers - The scatter-problem

NASA Technical Reports Server (NTRS)

Loehner, R.; Morgan, K.

1985-01-01

Certain problems arise in connection with the use of supercomputers for the implementation of finite-element methods. These problems are related to the desirability of utilizing the power of the supercomputer as fully as possible for the rapid execution of the required computations, taking into account the gain in speed possible with the aid of pipelining operations. For the finite-element method, the time-consuming operations may be divided into three categories. The first two present no problems, while the third type of operation can be a reason for the inefficient performance of finite-element programs. Two possibilities for overcoming certain difficulties are proposed, giving attention to a scatter-process.

Supercomputer Simulations Help Develop New Approach to Fight Antibiotic Resistance

ScienceCinema

Zgurskaya, Helen; Smith, Jeremy

2018-06-13

ORNL leveraged powerful supercomputing to support research led by University of Oklahoma scientists to identify chemicals that seek out and disrupt bacterial proteins called efflux pumps, known to be a major cause of antibiotic resistance. By running simulations on Titan, the team selected molecules most likely to target and potentially disable the assembly of efflux pumps found in E. coli bacteria cells.

A History of High-Performance Computing

NASA Technical Reports Server (NTRS)

2006-01-01

Faster than most speedy computers. More powerful than its NASA data-processing predecessors. Able to leap large, mission-related computational problems in a single bound. Clearly, it s neither a bird nor a plane, nor does it need to don a red cape, because it s super in its own way. It's Columbia, NASA s newest supercomputer and one of the world s most powerful production/processing units. Named Columbia to honor the STS-107 Space Shuttle Columbia crewmembers, the new supercomputer is making it possible for NASA to achieve breakthroughs in science and engineering, fulfilling the Agency s missions, and, ultimately, the Vision for Space Exploration. Shortly after being built in 2004, Columbia achieved a benchmark rating of 51.9 teraflop/s on 10,240 processors, making it the world s fastest operational computer at the time of completion. Putting this speed into perspective, 20 years ago, the most powerful computer at NASA s Ames Research Center, home of the NASA Advanced Supercomputing Division (NAS), ran at a speed of about 1 gigaflop (one billion calculations per second). The Columbia supercomputer is 50,000 times faster than this computer and offers a tenfold increase in capacity over the prior system housed at Ames. What s more, Columbia is considered the world s largest Linux-based, shared-memory system. The system is offering immeasurable benefits to society and is the zenith of years of NASA/private industry collaboration that has spawned new generations of commercial, high-speed computing systems.

Building more powerful less expensive supercomputers using Processing-In-Memory (PIM) LDRD final report.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murphy, Richard C.

2009-09-01

This report details the accomplishments of the 'Building More Powerful Less Expensive Supercomputers Using Processing-In-Memory (PIM)' LDRD ('PIM LDRD', number 105809) for FY07-FY09. Latency dominates all levels of supercomputer design. Within a node, increasing memory latency, relative to processor cycle time, limits CPU performance. Between nodes, the same increase in relative latency impacts scalability. Processing-In-Memory (PIM) is an architecture that directly addresses this problem using enhanced chip fabrication technology and machine organization. PIMs combine high-speed logic and dense, low-latency, high-bandwidth DRAM, and lightweight threads that tolerate latency by performing useful work during memory transactions. This work examines the potential ofmore » PIM-based architectures to support mission critical Sandia applications and an emerging class of more data intensive informatics applications. This work has resulted in a stronger architecture/implementation collaboration between 1400 and 1700. Additionally, key technology components have impacted vendor roadmaps, and we are in the process of pursuing these new collaborations. This work has the potential to impact future supercomputer design and construction, reducing power and increasing performance. This final report is organized as follow: this summary chapter discusses the impact of the project (Section 1), provides an enumeration of publications and other public discussion of the work (Section 1), and concludes with a discussion of future work and impact from the project (Section 1). The appendix contains reprints of the refereed publications resulting from this work.« less

ALCF Data Science Program: Productive Data-centric Supercomputing

NASA Astrophysics Data System (ADS)

Romero, Nichols; Vishwanath, Venkatram

The ALCF Data Science Program (ADSP) is targeted at big data science problems that require leadership computing resources. The goal of the program is to explore and improve a variety of computational methods that will enable data-driven discoveries across all scientific disciplines. The projects will focus on data science techniques covering a wide area of discovery including but not limited to uncertainty quantification, statistics, machine learning, deep learning, databases, pattern recognition, image processing, graph analytics, data mining, real-time data analysis, and complex and interactive workflows. Project teams will be among the first to access Theta, ALCFs forthcoming 8.5 petaflops Intel/Cray system. The program will transition to the 200 petaflop/s Aurora supercomputing system when it becomes available. In 2016, four projects have been selected to kick off the ADSP. The selected projects span experimental and computational sciences and range from modeling the brain to discovering new materials for solar-powered windows to simulating collision events at the Large Hadron Collider (LHC). The program will have a regular call for proposals with the next call expected in Spring 2017.http://www.alcf.anl.gov/alcf-data-science-program This research used resources of the ALCF, which is a DOE Office of Science User Facility supported under Contract DE-AC02-06CH11357.

Monitoring Object Library Usage and Changes

NASA Technical Reports Server (NTRS)

Owen, R. K.; Craw, James M. (Technical Monitor)

1995-01-01

The NASA Ames Numerical Aerodynamic Simulation program Aeronautics Consolidated Supercomputing Facility (NAS/ACSF) supercomputing center services over 1600 users, and has numerous analysts with root access. Several tools have been developed to monitor object library usage and changes. Some of the tools do "noninvasive" monitoring and other tools implement run-time logging even for object-only libraries. The run-time logging identifies who, when, and what is being used. The benefits are that real usage can be measured, unused libraries can be discontinued, training and optimization efforts can be focused at those numerical methods that are actually used. An overview of the tools will be given and the results will be discussed.

Cots Correlator Platform

NASA Astrophysics Data System (ADS)

Schaaf, Kjeld; Overeem, Ruud

2004-06-01

Moore’s law is best exploited by using consumer market hardware. In particular, the gaming industry pushes the limit of processor performance thus reducing the cost per raw flop even faster than Moore’s law predicts. Next to the cost benefits of Common-Of-The-Shelf (COTS) processing resources, there is a rapidly growing experience pool in cluster based processing. The typical Beowulf cluster of PC’s supercomputers are well known. Multiple examples exists of specialised cluster computers based on more advanced server nodes or even gaming stations. All these cluster machines build upon the same knowledge about cluster software management, scheduling, middleware libraries and mathematical libraries. In this study, we have integrated COTS processing resources and cluster nodes into a very high performance processing platform suitable for streaming data applications, in particular to implement a correlator. The required processing power for the correlator in modern radio telescopes is in the range of the larger supercomputers, which motivates the usage of supercomputer technology. Raw processing power is provided by graphical processors and is combined with an Infiniband host bus adapter with integrated data stream handling logic. With this processing platform a scalable correlator can be built with continuously growing processing power at consumer market prices.

Understanding Lustre Internals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Feiyi; Oral, H Sarp; Shipman, Galen M

2009-04-01

Lustre was initiated and funded, almost a decade ago, by the U.S. Department of Energy (DoE) Office of Science and National Nuclear Security Administration laboratories to address the need for an open source, highly-scalable, high-performance parallel filesystem on by then present and future supercomputing platforms. Throughout the last decade, it was deployed over numerous medium-to-large-scale supercomputing platforms and clusters, and it performed and met the expectations of the Lustre user community. As it stands at the time of writing this document, according to the Top500 list, 15 of the top 30 supercomputers in the world use Lustre filesystem. This reportmore » aims to present a streamlined overview on how Lustre works internally at reasonable details including relevant data structures, APIs, protocols and algorithms involved for Lustre version 1.6 source code base. More importantly, it tries to explain how various components interconnect with each other and function as a system. Portions of this report are based on discussions with Oak Ridge National Laboratory Lustre Center of Excellence team members and portions of it are based on our own understanding of how the code works. We, as the authors team bare all responsibilities for all errors and omissions in this document. We can only hope it helps current and future Lustre users and Lustre code developers as much as it helped us understanding the Lustre source code and its internal workings.« less

Radical Supercomputing

Science.gov Websites

Los Alamos National Laboratory Search Site submit About Mission Business Newsroom Publications Los Innovation in New Mexico Los Alamos Collaboration for Explosives Detection (LACED) SensorNexus Exascale Computing Project (ECP) User Facilities Center for Integrated Nanotechnologies (CINT) Los Alamos Neutron

NASA Center for Climate Simulation (NCCS) Presentation

NASA Technical Reports Server (NTRS)

Webster, William P.

2012-01-01

The NASA Center for Climate Simulation (NCCS) offers integrated supercomputing, visualization, and data interaction technologies to enhance NASA's weather and climate prediction capabilities. It serves hundreds of users at NASA Goddard Space Flight Center, as well as other NASA centers, laboratories, and universities across the US. Over the past year, NCCS has continued expanding its data-centric computing environment to meet the increasingly data-intensive challenges of climate science. We doubled our Discover supercomputer's peak performance to more than 800 teraflops by adding 7,680 Intel Xeon Sandy Bridge processor-cores and most recently 240 Intel Xeon Phi Many Integrated Core (MIG) co-processors. A supercomputing-class analysis system named Dali gives users rapid access to their data on Discover and high-performance software including the Ultra-scale Visualization Climate Data Analysis Tools (UV-CDAT), with interfaces from user desktops and a 17- by 6-foot visualization wall. NCCS also is exploring highly efficient climate data services and management with a new MapReduce/Hadoop cluster while augmenting its data distribution to the science community. Using NCCS resources, NASA completed its modeling contributions to the Intergovernmental Panel on Climate Change (IPCG) Fifth Assessment Report this summer as part of the ongoing Coupled Modellntercomparison Project Phase 5 (CMIP5). Ensembles of simulations run on Discover reached back to the year 1000 to test model accuracy and projected climate change through the year 2300 based on four different scenarios of greenhouse gases, aerosols, and land use. The data resulting from several thousand IPCC/CMIP5 simulations, as well as a variety of other simulation, reanalysis, and observationdatasets, are available to scientists and decision makers through an enhanced NCCS Earth System Grid Federation Gateway. Worldwide downloads have totaled over 110 terabytes of data.

Tracing Scientific Facilities through the Research Literature Using Persistent Identifiers

NASA Astrophysics Data System (ADS)

Mayernik, M. S.; Maull, K. E.

2016-12-01

Tracing persistent identifiers to their source publications is an easy task when authors use them, since it is a simple matter of matching the persistent identifier to the specific text string of the identifier. However, trying to understand if a publication uses the resource behind an identifier when such identifier is not referenced explicitly is a harder task. In this research, we explore the effectiveness of alternative strategies of associating publications with uses of the resource referenced by an identifier when it may not be explicit. This project is explored within the context of the NCAR supercomputer, where we are broadly interesting in the science that can be traced to the usage of the NCAR supercomputing facility, by way of the peer-reviewed research publications that utilize and reference it. In this project we explore several ways of drawing linkages between publications and the NCAR supercomputing resources. Identifying and compiling peer-reviewed publications related to NCAR supercomputer usage are explored via three sources: 1) User-supplied publications gathered through a community survey, 2) publications that were identified via manual searching of the Google scholar search index, and 3) publications associated with National Science Foundation (NSF) grants extracted from a public NSF database. These three sources represent three styles of collecting information about publications that likely imply usage of the NCAR supercomputing facilities. Each source has strengths and weaknesses, thus our discussion will explore how our publication identification and analysis methods vary in terms of accuracy, reliability, and effort. We will also discuss strategies for enabling more efficient tracing of research impacts of supercomputing facilities going forward through the assignment of a persistent web identifier to the NCAR supercomputer. While this solution has potential to greatly enhance our ability to trace the use of the facility through publications, authors must cite the facility consistently. It is therefore necessary to provide recommendations for citation and attribution behavior, and we will conclude our discussion with how such recommendations have improved tracing the supercomputer facility allowing for more consistent and widespread measurement of its impact.

Toward a Proof of Concept Cloud Framework for Physics Applications on Blue Gene Supercomputers

NASA Astrophysics Data System (ADS)

Dreher, Patrick; Scullin, William; Vouk, Mladen

2015-09-01

Traditional high performance supercomputers are capable of delivering large sustained state-of-the-art computational resources to physics applications over extended periods of time using batch processing mode operating environments. However, today there is an increasing demand for more complex workflows that involve large fluctuations in the levels of HPC physics computational requirements during the simulations. Some of the workflow components may also require a richer set of operating system features and schedulers than normally found in a batch oriented HPC environment. This paper reports on progress toward a proof of concept design that implements a cloud framework onto BG/P and BG/Q platforms at the Argonne Leadership Computing Facility. The BG/P implementation utilizes the Kittyhawk utility and the BG/Q platform uses an experimental heterogeneous FusedOS operating system environment. Both platforms use the Virtual Computing Laboratory as the cloud computing system embedded within the supercomputer. This proof of concept design allows a cloud to be configured so that it can capitalize on the specialized infrastructure capabilities of a supercomputer and the flexible cloud configurations without resorting to virtualization. Initial testing of the proof of concept system is done using the lattice QCD MILC code. These types of user reconfigurable environments have the potential to deliver experimental schedulers and operating systems within a working HPC environment for physics computations that may be different from the native OS and schedulers on production HPC supercomputers.

Code Optimization and Parallelization on the Origins: Looking from Users' Perspective

NASA Technical Reports Server (NTRS)

Chang, Yan-Tyng Sherry; Thigpen, William W. (Technical Monitor)

2002-01-01

Parallel machines are becoming the main compute engines for high performance computing. Despite their increasing popularity, it is still a challenge for most users to learn the basic techniques to optimize/parallelize their codes on such platforms. In this paper, we present some experiences on learning these techniques for the Origin systems at the NASA Advanced Supercomputing Division. Emphasis of this paper will be on a few essential issues (with examples) that general users should master when they work with the Origins as well as other parallel systems.

UNIX security in a supercomputing environment

NASA Technical Reports Server (NTRS)

Bishop, Matt

1989-01-01

The author critiques some security mechanisms in most versions of the Unix operating system and suggests more effective tools that either have working prototypes or have been implemented, for example in secure Unix systems. Although no computer (not even a secure one) is impenetrable, breaking into systems with these alternate mechanisms will cost more, require more skill, and be more easily detected than penetrations of systems without these mechanisms. The mechanisms described fall into four classes (with considerable overlap). User authentication at the local host affirms the identity of the person using the computer. The principle of least privilege dictates that properly authenticated users should have rights precisely sufficient to perform their tasks, and system administration functions should be compartmentalized; to this end, access control lists or capabilities should either replace or augment the default Unix protection system, and mandatory access controls implementing multilevel security models and integrity mechanisms should be available. Since most users access supercomputing environments using networks, the third class of mechanisms augments authentication (where feasible). As no security is perfect, the fourth class of mechanism logs events that may indicate possible security violations; this will allow the reconstruction of a successful penetration (if discovered), or possibly the detection of an attempted penetration.

Scheduling for Parallel Supercomputing: A Historical Perspective of Achievable Utilization

NASA Technical Reports Server (NTRS)

Jones, James Patton; Nitzberg, Bill

1999-01-01

The NAS facility has operated parallel supercomputers for the past 11 years, including the Intel iPSC/860, Intel Paragon, Thinking Machines CM-5, IBM SP-2, and Cray Origin 2000. Across this wide variety of machine architectures, across a span of 10 years, across a large number of different users, and through thousands of minor configuration and policy changes, the utilization of these machines shows three general trends: (1) scheduling using a naive FIFO first-fit policy results in 40-60% utilization, (2) switching to the more sophisticated dynamic backfilling scheduling algorithm improves utilization by about 15 percentage points (yielding about 70% utilization), and (3) reducing the maximum allowable job size further increases utilization. Most surprising is the consistency of these trends. Over the lifetime of the NAS parallel systems, we made hundreds, perhaps thousands, of small changes to hardware, software, and policy, yet, utilization was affected little. In particular these results show that the goal of achieving near 100% utilization while supporting a real parallel supercomputing workload is unrealistic.

The Fermilab lattice supercomputer project

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fischler, M.; Atac, R.; Cook, A.

1989-02-01

The ACPMAPS system is a highly cost effective, local memory MIMD computer targeted at algorithm development and production running for gauge theory on the lattice. The machine consists of a compound hypercube of crates, each of which is a full crossbar switch containing several processors. The processing nodes are single board array processors based on the Weitek XL chip set, each with a peak power of 20 MFLOPS and supported by 8 MBytes of data memory. The system currently being assembled has a peak power of 5 GFLOPS, delivering performance at approximately $250/MFLOP. The system is programmable in C andmore » Fortran. An underpinning of software routines (CANOPY) provides an easy and natural way of coding lattice problems, such that the details of parallelism, and communication and system architecture are transparent to the user. CANOPY can easily be ported to any single CPU or MIMD system which supports C, and allows the coding of typical applications with very little effort. 3 refs., 1 fig.« less

Generating unstructured nuclear reactor core meshes in parallel

DOE PAGES

Jain, Rajeev; Tautges, Timothy J.

2014-10-24

Recent advances in supercomputers and parallel solver techniques have enabled users to run large simulations problems using millions of processors. Techniques for multiphysics nuclear reactor core simulations are under active development in several countries. Most of these techniques require large unstructured meshes that can be hard to generate in a standalone desktop computers because of high memory requirements, limited processing power, and other complexities. We have previously reported on a hierarchical lattice-based approach for generating reactor core meshes. Here, we describe efforts to exploit coarse-grained parallelism during reactor assembly and reactor core mesh generation processes. We highlight several reactor coremore » examples including a very high temperature reactor, a full-core model of the Korean MONJU reactor, a ¼ pressurized water reactor core, the fast reactor Experimental Breeder Reactor-II core with a XX09 assembly, and an advanced breeder test reactor core. The times required to generate large mesh models, along with speedups obtained from running these problems in parallel, are reported. A graphical user interface to the tools described here has also been developed.« less

Fast neural net simulation with a DSP processor array.

PubMed

Muller, U A; Gunzinger, A; Guggenbuhl, W

1995-01-01

This paper describes the implementation of a fast neural net simulator on a novel parallel distributed-memory computer. A 60-processor system, named MUSIC (multiprocessor system with intelligent communication), is operational and runs the backpropagation algorithm at a speed of 330 million connection updates per second (continuous weight update) using 32-b floating-point precision. This is equal to 1.4 Gflops sustained performance. The complete system with 3.8 Gflops peak performance consumes less than 800 W of electrical power and fits into a 19-in rack. While reaching the speed of modern supercomputers, MUSIC still can be used as a personal desktop computer at a researcher's own disposal. In neural net simulation, this gives a computing performance to a single user which was unthinkable before. The system's real-time interfaces make it especially useful for embedded applications.

An analysis of file migration in a UNIX supercomputing environment

NASA Technical Reports Server (NTRS)

Miller, Ethan L.; Katz, Randy H.

1992-01-01

The super computer center at the National Center for Atmospheric Research (NCAR) migrates large numbers of files to and from its mass storage system (MSS) because there is insufficient space to store them on the Cray supercomputer's local disks. This paper presents an analysis of file migration data collected over two years. The analysis shows that requests to the MSS are periodic, with one day and one week periods. Read requests to the MSS account for the majority of the periodicity; as write requests are relatively constant over the course of a week. Additionally, reads show a far greater fluctuation than writes over a day and week since reads are driven by human users while writes are machine-driven.

Program optimizations: The interplay between power, performance, and energy

DOE PAGES

Leon, Edgar A.; Karlin, Ian; Grant, Ryan E.; ...

2016-05-16

Practical considerations for future supercomputer designs will impose limits on both instantaneous power consumption and total energy consumption. Working within these constraints while providing the maximum possible performance, application developers will need to optimize their code for speed alongside power and energy concerns. This paper analyzes the effectiveness of several code optimizations including loop fusion, data structure transformations, and global allocations. A per component measurement and analysis of different architectures is performed, enabling the examination of code optimizations on different compute subsystems. Using an explicit hydrodynamics proxy application from the U.S. Department of Energy, LULESH, we show how code optimizationsmore » impact different computational phases of the simulation. This provides insight for simulation developers into the best optimizations to use during particular simulation compute phases when optimizing code for future supercomputing platforms. Here, we examine and contrast both x86 and Blue Gene architectures with respect to these optimizations.« less

Sign: large-scale gene network estimation environment for high performance computing.

PubMed

Tamada, Yoshinori; Shimamura, Teppei; Yamaguchi, Rui; Imoto, Seiya; Nagasaki, Masao; Miyano, Satoru

2011-01-01

Our research group is currently developing software for estimating large-scale gene networks from gene expression data. The software, called SiGN, is specifically designed for the Japanese flagship supercomputer "K computer" which is planned to achieve 10 petaflops in 2012, and other high performance computing environments including Human Genome Center (HGC) supercomputer system. SiGN is a collection of gene network estimation software with three different sub-programs: SiGN-BN, SiGN-SSM and SiGN-L1. In these three programs, five different models are available: static and dynamic nonparametric Bayesian networks, state space models, graphical Gaussian models, and vector autoregressive models. All these models require a huge amount of computational resources for estimating large-scale gene networks and therefore are designed to be able to exploit the speed of 10 petaflops. The software will be available freely for "K computer" and HGC supercomputer system users. The estimated networks can be viewed and analyzed by Cell Illustrator Online and SBiP (Systems Biology integrative Pipeline). The software project web site is available at http://sign.hgc.jp/ .

Long-Term file activity patterns in a UNIX workstation environment

NASA Technical Reports Server (NTRS)

Gibson, Timothy J.; Miller, Ethan L.

1998-01-01

As mass storage technology becomes more affordable for sites smaller than supercomputer centers, understanding their file access patterns becomes crucial for developing systems to store rarely used data on tertiary storage devices such as tapes and optical disks. This paper presents a new way to collect and analyze file system statistics for UNIX-based file systems. The collection system runs in user-space and requires no modification of the operating system kernel. The statistics package provides details about file system operations at the file level: creations, deletions, modifications, etc. The paper analyzes four months of file system activity on a university file system. The results confirm previously published results gathered from supercomputer file systems, but differ in several important areas. Files in this study were considerably smaller than those at supercomputer centers, and they were accessed less frequently. Additionally, the long-term creation rate on workstation file systems is sufficiently low so that all data more than a day old could be cheaply saved on a mass storage device, allowing the integration of time travel into every file system.

Remote visualization and scale analysis of large turbulence datatsets

NASA Astrophysics Data System (ADS)

Livescu, D.; Pulido, J.; Burns, R.; Canada, C.; Ahrens, J.; Hamann, B.

2015-12-01

Accurate simulations of turbulent flows require solving all the dynamically relevant scales of motions. This technique, called Direct Numerical Simulation, has been successfully applied to a variety of simple flows; however, the large-scale flows encountered in Geophysical Fluid Dynamics (GFD) would require meshes outside the range of the most powerful supercomputers for the foreseeable future. Nevertheless, the current generation of petascale computers has enabled unprecedented simulations of many types of turbulent flows which focus on various GFD aspects, from the idealized configurations extensively studied in the past to more complex flows closer to the practical applications. The pace at which such simulations are performed only continues to increase; however, the simulations themselves are restricted to a small number of groups with access to large computational platforms. Yet the petabytes of turbulence data offer almost limitless information on many different aspects of the flow, from the hierarchy of turbulence moments, spectra and correlations, to structure-functions, geometrical properties, etc. The ability to share such datasets with other groups can significantly reduce the time to analyze the data, help the creative process and increase the pace of discovery. Using the largest DOE supercomputing platforms, we have performed some of the biggest turbulence simulations to date, in various configurations, addressing specific aspects of turbulence production and mixing mechanisms. Until recently, the visualization and analysis of such datasets was restricted by access to large supercomputers. The public Johns Hopkins Turbulence database simplifies the access to multi-Terabyte turbulence datasets and facilitates turbulence analysis through the use of commodity hardware. First, one of our datasets, which is part of the database, will be described and then a framework that adds high-speed visualization and wavelet support for multi-resolution analysis of turbulence will be highlighted. The addition of wavelet support reduces the latency and bandwidth requirements for visualization, allowing for many concurrent users, and enables new types of analyses, including scale decomposition and coherent feature extraction.

Alleviating Search Uncertainty through Concept Associations: Automatic Indexing, Co-Occurrence Analysis, and Parallel Computing.

ERIC Educational Resources Information Center

Chen, Hsinchun; Martinez, Joanne; Kirchhoff, Amy; Ng, Tobun D.; Schatz, Bruce R.

1998-01-01

Grounded on object filtering, automatic indexing, and co-occurrence analysis, an experiment was performed using a parallel supercomputer to analyze over 400,000 abstracts in an INSPEC computer engineering collection. A user evaluation revealed that system-generated thesauri were better than the human-generated INSPEC subject thesaurus in concept…

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Chao

Sparx, a new environment for Cryo-EM image processing; Cryo-EM, Single particle reconstruction, principal component analysis; Hardware Req.: PC, MAC, Supercomputer, Mainframe, Multiplatform, Workstation. Software Req.: operating system is Unix; Compiler C++; type of files: source code, object library, executable modules, compilation instructions; sample problem input data. Location/transmission: http://sparx-em.org; User manual & paper: http://sparx-em.org;

Supercomputer analysis of sedimentary basins.

PubMed

Bethke, C M; Altaner, S P; Harrison, W J; Upson, C

1988-01-15

Geological processes of fluid transport and chemical reaction in sedimentary basins have formed many of the earth's energy and mineral resources. These processes can be analyzed on natural time and distance scales with the use of supercomputers. Numerical experiments are presented that give insights to the factors controlling subsurface pressures, temperatures, and reactions; the origin of ores; and the distribution and quality of hydrocarbon reservoirs. The results show that numerical analysis combined with stratigraphic, sea level, and plate tectonic histories provides a powerful tool for studying the evolution of sedimentary basins over geologic time.

The Q continuum simulation: Harnessing the power of GPU accelerated supercomputers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heitmann, Katrin; Frontiere, Nicholas; Sewell, Chris

2015-08-01

Modeling large-scale sky survey observations is a key driver for the continuing development of high-resolution, large-volume, cosmological simulations. We report the first results from the "Q Continuum" cosmological N-body simulation run carried out on the GPU-accelerated supercomputer Titan. The simulation encompasses a volume of (1300 Mpc)(3) and evolves more than half a trillion particles, leading to a particle mass resolution of m(p) similar or equal to 1.5 . 10(8) M-circle dot. At thismass resolution, the Q Continuum run is currently the largest cosmology simulation available. It enables the construction of detailed synthetic sky catalogs, encompassing different modeling methodologies, including semi-analyticmore » modeling and sub-halo abundance matching in a large, cosmological volume. Here we describe the simulation and outputs in detail and present first results for a range of cosmological statistics, such as mass power spectra, halo mass functions, and halo mass-concentration relations for different epochs. We also provide details on challenges connected to running a simulation on almost 90% of Titan, one of the fastest supercomputers in the world, including our usage of Titan's GPU accelerators.« less

Flux-Level Transit Injection Experiments with NASA Pleiades Supercomputer

NASA Astrophysics Data System (ADS)

Li, Jie; Burke, Christopher J.; Catanzarite, Joseph; Seader, Shawn; Haas, Michael R.; Batalha, Natalie; Henze, Christopher; Christiansen, Jessie; Kepler Project, NASA Advanced Supercomputing Division

2016-06-01

Flux-Level Transit Injection (FLTI) experiments are executed with NASA's Pleiades supercomputer for the Kepler Mission. The latest release (9.3, January 2016) of the Kepler Science Operations Center Pipeline is used in the FLTI experiments. Their purpose is to validate the Analytic Completeness Model (ACM), which can be computed for all Kepler target stars, thereby enabling exoplanet occurrence rate studies. Pleiades, a facility of NASA's Advanced Supercomputing Division, is one of the world's most powerful supercomputers and represents NASA's state-of-the-art technology. We discuss the details of implementing the FLTI experiments on the Pleiades supercomputer. For example, taking into account that ~16 injections are generated by one core of the Pleiades processors in an hour, the “shallow” FLTI experiment, in which ~2000 injections are required per target star, can be done for 16% of all Kepler target stars in about 200 hours. Stripping down the transit search to bare bones, i.e. only searching adjacent high/low periods at high/low pulse durations, makes the computationally intensive FLTI experiments affordable. The design of the FLTI experiments and the analysis of the resulting data are presented in “Validating an Analytic Completeness Model for Kepler Target Stars Based on Flux-level Transit Injection Experiments” by Catanzarite et al. (#2494058).Kepler was selected as the 10th mission of the Discovery Program. Funding for the Kepler Mission has been provided by the NASA Science Mission Directorate.

Ubiquitous Green Computing Techniques for High Demand Applications in Smart Environments

PubMed Central

Zapater, Marina; Sanchez, Cesar; Ayala, Jose L.; Moya, Jose M.; Risco-Martín, José L.

2012-01-01

Ubiquitous sensor network deployments, such as the ones found in Smart cities and Ambient intelligence applications, require constantly increasing high computational demands in order to process data and offer services to users. The nature of these applications imply the usage of data centers. Research has paid much attention to the energy consumption of the sensor nodes in WSNs infrastructures. However, supercomputing facilities are the ones presenting a higher economic and environmental impact due to their very high power consumption. The latter problem, however, has been disregarded in the field of smart environment services. This paper proposes an energy-minimization workload assignment technique, based on heterogeneity and application-awareness, that redistributes low-demand computational tasks from high-performance facilities to idle nodes with low and medium resources in the WSN infrastructure. These non-optimal allocation policies reduce the energy consumed by the whole infrastructure and the total execution time. PMID:23112621

A tool for simulating parallel branch-and-bound methods

NASA Astrophysics Data System (ADS)

Golubeva, Yana; Orlov, Yury; Posypkin, Mikhail

2016-01-01

The Branch-and-Bound method is known as one of the most powerful but very resource consuming global optimization methods. Parallel and distributed computing can efficiently cope with this issue. The major difficulty in parallel B&B method is the need for dynamic load redistribution. Therefore design and study of load balancing algorithms is a separate and very important research topic. This paper presents a tool for simulating parallel Branchand-Bound method. The simulator allows one to run load balancing algorithms with various numbers of processors, sizes of the search tree, the characteristics of the supercomputer's interconnect thereby fostering deep study of load distribution strategies. The process of resolution of the optimization problem by B&B method is replaced by a stochastic branching process. Data exchanges are modeled using the concept of logical time. The user friendly graphical interface to the simulator provides efficient visualization and convenient performance analysis.

Ubiquitous green computing techniques for high demand applications in Smart environments.

PubMed

Zapater, Marina; Sanchez, Cesar; Ayala, Jose L; Moya, Jose M; Risco-Martín, José L

2012-01-01

Ubiquitous sensor network deployments, such as the ones found in Smart cities and Ambient intelligence applications, require constantly increasing high computational demands in order to process data and offer services to users. The nature of these applications imply the usage of data centers. Research has paid much attention to the energy consumption of the sensor nodes in WSNs infrastructures. However, supercomputing facilities are the ones presenting a higher economic and environmental impact due to their very high power consumption. The latter problem, however, has been disregarded in the field of smart environment services. This paper proposes an energy-minimization workload assignment technique, based on heterogeneity and application-awareness, that redistributes low-demand computational tasks from high-performance facilities to idle nodes with low and medium resources in the WSN infrastructure. These non-optimal allocation policies reduce the energy consumed by the whole infrastructure and the total execution time.

Survey of new vector computers: The CRAY 1S from CRAY research; the CYBER 205 from CDC and the parallel computer from ICL - architecture and programming

NASA Technical Reports Server (NTRS)

Gentzsch, W.

1982-01-01

Problems which can arise with vector and parallel computers are discussed in a user oriented context. Emphasis is placed on the algorithms used and the programming techniques adopted. Three recently developed supercomputers are examined and typical application examples are given in CRAY FORTRAN, CYBER 205 FORTRAN and DAP (distributed array processor) FORTRAN. The systems performance is compared. The addition of parts of two N x N arrays is considered. The influence of the architecture on the algorithms and programming language is demonstrated. Numerical analysis of magnetohydrodynamic differential equations by an explicit difference method is illustrated, showing very good results for all three systems. The prognosis for supercomputer development is assessed.

Trident: scalable compute archives: workflows, visualization, and analysis

NASA Astrophysics Data System (ADS)

Gopu, Arvind; Hayashi, Soichi; Young, Michael D.; Kotulla, Ralf; Henschel, Robert; Harbeck, Daniel

2016-08-01

The Astronomy scientific community has embraced Big Data processing challenges, e.g. associated with time-domain astronomy, and come up with a variety of novel and efficient data processing solutions. However, data processing is only a small part of the Big Data challenge. Efficient knowledge discovery and scientific advancement in the Big Data era requires new and equally efficient tools: modern user interfaces for searching, identifying and viewing data online without direct access to the data; tracking of data provenance; searching, plotting and analyzing metadata; interactive visual analysis, especially of (time-dependent) image data; and the ability to execute pipelines on supercomputing and cloud resources with minimal user overhead or expertise even to novice computing users. The Trident project at Indiana University offers a comprehensive web and cloud-based microservice software suite that enables the straight forward deployment of highly customized Scalable Compute Archive (SCA) systems; including extensive visualization and analysis capabilities, with minimal amount of additional coding. Trident seamlessly scales up or down in terms of data volumes and computational needs, and allows feature sets within a web user interface to be quickly adapted to meet individual project requirements. Domain experts only have to provide code or business logic about handling/visualizing their domain's data products and about executing their pipelines and application work flows. Trident's microservices architecture is made up of light-weight services connected by a REST API and/or a message bus; a web interface elements are built using NodeJS, AngularJS, and HighCharts JavaScript libraries among others while backend services are written in NodeJS, PHP/Zend, and Python. The software suite currently consists of (1) a simple work flow execution framework to integrate, deploy, and execute pipelines and applications (2) a progress service to monitor work flows and sub-work flows (3) ImageX, an interactive image visualization service (3) an authentication and authorization service (4) a data service that handles archival, staging and serving of data products, and (5) a notification service that serves statistical collation and reporting needs of various projects. Several other additional components are under development. Trident is an umbrella project, that evolved from the One Degree Imager, Portal, Pipeline, and Archive (ODI-PPA) project which we had initially refactored toward (1) a powerful analysis/visualization portal for Globular Cluster System (GCS) survey data collected by IU researchers, 2) a data search and download portal for the IU Electron Microscopy Center's data (EMC-SCA), 3) a prototype archive for the Ludwig Maximilian University's Wide Field Imager. The new Trident software has been used to deploy (1) a metadata quality control and analytics portal (RADY-SCA) for DICOM formatted medical imaging data produced by the IU Radiology Center, 2) Several prototype work flows for different domains, 3) a snapshot tool within IU's Karst Desktop environment, 4) a limited component-set to serve GIS data within the IU GIS web portal. Trident SCA systems leverage supercomputing and storage resources at Indiana University but can be configured to make use of any cloud/grid resource, from local workstations/servers to (inter)national supercomputing facilities such as XSEDE.

Checkpointing filesystem

DOEpatents

Gara, Alan G.; Giampapa, Mark E.; Steinmacher-Burow, Burkhard D.

2005-05-17

The present in invention is directed to a checkpointing filesystem of a distributed-memory parallel supercomputer comprising a node that accesses user data on the filesystem, the filesystem comprising an interface that is associated with a disk for storing the user data. The checkpointing filesystem provides for taking and checkpoint of the filesystem and rolling back to a previously taken checkpoint, as well as for writing user data to and deleting user data from the checkpointing filesystem. The checkpointing filesystem provides a recently written file allocation table (WFAT) for maintaining information regarding the user data written since a previously taken checkpoint and a recently deleted file allocation table (DFAT) for maintaining information regarding user data deleted from since the previously taken checkpoint, both of which are utilized by the checkpointing filesystem to take a checkpoint of the filesystem and rollback the filesystem to a previously taken checkpoint, as well as to write and delete user data from the checkpointing filesystem.

NASA Advanced Supercomputing Facility Expansion

NASA Technical Reports Server (NTRS)

Thigpen, William W.

2017-01-01

The NASA Advanced Supercomputing (NAS) Division enables advances in high-end computing technologies and in modeling and simulation methods to tackle some of the toughest science and engineering challenges facing NASA today. The name "NAS" has long been associated with leadership and innovation throughout the high-end computing (HEC) community. We play a significant role in shaping HEC standards and paradigms, and provide leadership in the areas of large-scale InfiniBand fabrics, Lustre open-source filesystems, and hyperwall technologies. We provide an integrated high-end computing environment to accelerate NASA missions and make revolutionary advances in science. Pleiades, a petaflop-scale supercomputer, is used by scientists throughout the U.S. to support NASA missions, and is ranked among the most powerful systems in the world. One of our key focus areas is in modeling and simulation to support NASA's real-world engineering applications and make fundamental advances in modeling and simulation methods.

RIP-REMOTE INTERACTIVE PARTICLE-TRACER

NASA Technical Reports Server (NTRS)

Rogers, S. E.

1994-01-01

Remote Interactive Particle-tracing (RIP) is a distributed-graphics program which computes particle traces for computational fluid dynamics (CFD) solution data sets. A particle trace is a line which shows the path a massless particle in a fluid will take; it is a visual image of where the fluid is going. The program is able to compute and display particle traces at a speed of about one trace per second because it runs on two machines concurrently. The data used by the program is contained in two files. The solution file contains data on density, momentum and energy quantities of a flow field at discrete points in three-dimensional space, while the grid file contains the physical coordinates of each of the discrete points. RIP requires two computers. A local graphics workstation interfaces with the user for program control and graphics manipulation, and a remote machine interfaces with the solution data set and performs time-intensive computations. The program utilizes two machines in a distributed mode for two reasons. First, the data to be used by the program is usually generated on the supercomputer. RIP avoids having to convert and transfer the data, eliminating any memory limitations of the local machine. Second, as computing the particle traces can be computationally expensive, RIP utilizes the power of the supercomputer for this task. Although the remote site code was developed on a CRAY, it is possible to port this to any supercomputer class machine with a UNIX-like operating system. Integration of a velocity field from a starting physical location produces the particle trace. The remote machine computes the particle traces using the particle-tracing subroutines from PLOT3D/AMES, a CFD post-processing graphics program available from COSMIC (ARC-12779). These routines use a second-order predictor-corrector method to integrate the velocity field. Then the remote program sends graphics tokens to the local machine via a remote-graphics library. The local machine interprets the graphics tokens and draws the particle traces. The program is menu driven. RIP is implemented on the silicon graphics IRIS 3000 (local workstation) with an IRIX operating system and on the CRAY2 (remote station) with a UNICOS 1.0 or 2.0 operating system. The IRIS 4D can be used in place of the IRIS 3000. The program is written in C (67%) and FORTRAN 77 (43%) and has an IRIS memory requirement of 4 MB. The remote and local stations must use the same user ID. PLOT3D/AMES unformatted data sets are required for the remote machine. The program was developed in 1988.

Computing with Beowulf

NASA Technical Reports Server (NTRS)

Cohen, Jarrett

1999-01-01

Parallel computers built out of mass-market parts are cost-effectively performing data processing and simulation tasks. The Supercomputing (now known as "SC") series of conferences celebrated its 10th anniversary last November. While vendors have come and gone, the dominant paradigm for tackling big problems still is a shared-resource, commercial supercomputer. Growing numbers of users needing a cheaper or dedicated-access alternative are building their own supercomputers out of mass-market parts. Such machines are generally called Beowulf-class systems after the 11th century epic. This modern-day Beowulf story began in 1994 at NASA's Goddard Space Flight Center. A laboratory for the Earth and space sciences, computing managers there threw down a gauntlet to develop a $50,000 gigaFLOPS workstation for processing satellite data sets. Soon, Thomas Sterling and Don Becker were working on the Beowulf concept at the University Space Research Association (USRA)-run Center of Excellence in Space Data and Information Sciences (CESDIS). Beowulf clusters mix three primary ingredients: commodity personal computers or workstations, low-cost Ethernet networks, and the open-source Linux operating system. One of the larger Beowulfs is Goddard's Highly-parallel Integrated Virtual Environment, or HIVE for short.

KNBD: A Remote Kernel Block Server for Linux

NASA Technical Reports Server (NTRS)

Becker, Jeff

1999-01-01

I am developing a prototype of a Linux remote disk block server whose purpose is to serve as a lower level component of a parallel file system. Parallel file systems are an important component of high performance supercomputers and clusters. Although supercomputer vendors such as SGI and IBM have their own custom solutions, there has been a void and hence a demand for such a system on Beowulf-type PC Clusters. Recently, the Parallel Virtual File System (PVFS) project at Clemson University has begun to address this need (1). Although their system provides much of the functionality of (and indeed was inspired by) the equivalent file systems in the commercial supercomputer market, their system is all in user-space. Migrating their 10 services to the kernel could provide a performance boost, by obviating the need for expensive system calls. Thanks to Pavel Machek, the Linux kernel has provided the network block device (2) with kernels 2.1.101 and later. You can configure this block device to redirect reads and writes to a remote machine's disk. This can be used as a building block for constructing a striped file system across several nodes.

Charliecloud: Unprivileged containers for user-defined software stacks in HPC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Priedhorsky, Reid; Randles, Timothy C.

Supercomputing centers are seeing increasing demand for user-defined software stacks (UDSS), instead of or in addition to the stack provided by the center. These UDSS support user needs such as complex dependencies or build requirements, externally required configurations, portability, and consistency. The challenge for centers is to provide these services in a usable manner while minimizing the risks: security, support burden, missing functionality, and performance. We present Charliecloud, which uses the Linux user and mount namespaces to run industry-standard Docker containers with no privileged operations or daemons on center resources. Our simple approach avoids most security risks while maintaining accessmore » to the performance and functionality already on offer, doing so in less than 500 lines of code. Charliecloud promises to bring an industry-standard UDSS user workflow to existing, minimally altered HPC resources.« less

TopoLens: Building a cyberGIS community data service for enhancing the usability of high-resolution National Topographic datasets

USGS Publications Warehouse

Hu, Hao; Hong, Xingchen; Terstriep, Jeff; Liu, Yan; Finn, Michael P.; Rush, Johnathan; Wendel, Jeffrey; Wang, Shaowen

2016-01-01

Geospatial data, often embedded with geographic references, are important to many application and science domains, and represent a major type of big data. The increased volume and diversity of geospatial data have caused serious usability issues for researchers in various scientific domains, which call for innovative cyberGIS solutions. To address these issues, this paper describes a cyberGIS community data service framework to facilitate geospatial big data access, processing, and sharing based on a hybrid supercomputer architecture. Through the collaboration between the CyberGIS Center at the University of Illinois at Urbana-Champaign (UIUC) and the U.S. Geological Survey (USGS), a community data service for accessing, customizing, and sharing digital elevation model (DEM) and its derived datasets from the 10-meter national elevation dataset, namely TopoLens, is created to demonstrate the workflow integration of geospatial big data sources, computation, analysis needed for customizing the original dataset for end user needs, and a friendly online user environment. TopoLens provides online access to precomputed and on-demand computed high-resolution elevation data by exploiting the ROGER supercomputer. The usability of this prototype service has been acknowledged in community evaluation.

Performance Assessment Institute-NV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lombardo, Joesph

2012-12-31

The National Supercomputing Center for Energy and the Environment’s intention is to purchase a multi-purpose computer cluster in support of the Performance Assessment Institute (PA Institute). The PA Institute will serve as a research consortium located in Las Vegas Nevada with membership that includes: national laboratories, universities, industry partners, and domestic and international governments. This center will provide a one-of-a-kind centralized facility for the accumulation of information for use by Institutions of Higher Learning, the U.S. Government, and Regulatory Agencies and approved users. This initiative will enhance and extend High Performance Computing (HPC) resources in Nevada to support critical nationalmore » and international needs in "scientific confirmation". The PA Institute will be promoted as the leading Modeling, Learning and Research Center worldwide. The program proposes to utilize the existing supercomputing capabilities and alliances of the University of Nevada Las Vegas as a base, and to extend these resource and capabilities through a collaborative relationship with its membership. The PA Institute will provide an academic setting for interactive sharing, learning, mentoring and monitoring of multi-disciplinary performance assessment and performance confirmation information. The role of the PA Institute is to facilitate research, knowledge-increase, and knowledge-sharing among users.« less

Sharing lattice QCD data over a widely distributed file system

NASA Astrophysics Data System (ADS)

Amagasa, T.; Aoki, S.; Aoki, Y.; Aoyama, T.; Doi, T.; Fukumura, K.; Ishii, N.; Ishikawa, K.-I.; Jitsumoto, H.; Kamano, H.; Konno, Y.; Matsufuru, H.; Mikami, Y.; Miura, K.; Sato, M.; Takeda, S.; Tatebe, O.; Togawa, H.; Ukawa, A.; Ukita, N.; Watanabe, Y.; Yamazaki, T.; Yoshie, T.

2015-12-01

JLDG is a data-grid for the lattice QCD (LQCD) community in Japan. Several large research groups in Japan have been working on lattice QCD simulations using supercomputers distributed over distant sites. The JLDG provides such collaborations with an efficient method of data management and sharing. File servers installed on 9 sites are connected to the NII SINET VPN and are bound into a single file system with the GFarm. The file system looks the same from any sites, so that users can do analyses on a supercomputer on a site, using data generated and stored in the JLDG at a different site. We present a brief description of hardware and software of the JLDG, including a recently developed subsystem for cooperating with the HPCI shared storage, and report performance and statistics of the JLDG. As of April 2015, 15 research groups (61 users) store their daily research data of 4.7PB including replica and 68 million files in total. Number of publications for works which used the JLDG is 98. The large number of publications and recent rapid increase of disk usage convince us that the JLDG has grown up into a useful infrastructure for LQCD community in Japan.

Partial Overhaul and Initial Parallel Optimization of KINETICS, a Coupled Dynamics and Chemistry Atmosphere Model

NASA Technical Reports Server (NTRS)

Nguyen, Howard; Willacy, Karen; Allen, Mark

2012-01-01

KINETICS is a coupled dynamics and chemistry atmosphere model that is data intensive and computationally demanding. The potential performance gain from using a supercomputer motivates the adaptation from a serial version to a parallelized one. Although the initial parallelization had been done, bottlenecks caused by an abundance of communication calls between processors led to an unfavorable drop in performance. Before starting on the parallel optimization process, a partial overhaul was required because a large emphasis was placed on streamlining the code for user convenience and revising the program to accommodate the new supercomputers at Caltech and JPL. After the first round of optimizations, the partial runtime was reduced by a factor of 23; however, performance gains are dependent on the size of the data, the number of processors requested, and the computer used.

Multiprocessing on supercomputers for computational aerodynamics

NASA Technical Reports Server (NTRS)

Yarrow, Maurice; Mehta, Unmeel B.

1991-01-01

Little use is made of multiple processors available on current supercomputers (computers with a theoretical peak performance capability equal to 100 MFLOPS or more) to improve turnaround time in computational aerodynamics. The productivity of a computer user is directly related to this turnaround time. In a time-sharing environment, such improvement in this speed is achieved when multiple processors are used efficiently to execute an algorithm. The concept of multiple instructions and multiple data (MIMD) is applied through multitasking via a strategy that requires relatively minor modifications to an existing code for a single processor. This approach maps the available memory to multiple processors, exploiting the C-Fortran-Unix interface. The existing code is mapped without the need for developing a new algorithm. The procedure for building a code utilizing this approach is automated with the Unix stream editor.

A visualization environment for supercomputing-based applications in computational mechanics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pavlakos, C.J.; Schoof, L.A.; Mareda, J.F.

1993-06-01

In this paper, we characterize a visualization environment that has been designed and prototyped for a large community of scientists and engineers, with an emphasis in superconducting-based computational mechanics. The proposed environment makes use of a visualization server concept to provide effective, interactive visualization to the user`s desktop. Benefits of using the visualization server approach are discussed. Some thoughts regarding desirable features for visualization server hardware architectures are also addressed. A brief discussion of the software environment is included. The paper concludes by summarizing certain observations which we have made regarding the implementation of such visualization environments.

Global and local waveform simulations using the VERCE platform

NASA Astrophysics Data System (ADS)

Garth, Thomas; Saleh, Rafiq; Spinuso, Alessandro; Gemund, Andre; Casarotti, Emanuele; Magnoni, Federica; Krischner, Lion; Igel, Heiner; Schlichtweg, Horst; Frank, Anton; Michelini, Alberto; Vilotte, Jean-Pierre; Rietbrock, Andreas

2017-04-01

In recent years the potential to increase resolution of seismic imaging by full waveform inversion has been demonstrated on a range of scales from basin to continental scales. These techniques rely on harnessing the computational power of large supercomputers, and running large parallel codes to simulate the seismic wave field in a three-dimensional geological setting. The VERCE platform is designed to make these full waveform techniques accessible to a far wider spectrum of the seismological community. The platform supports the two widely used spectral element simulation programs SPECFEM3D Cartesian, and SPECFEM3D globe, allowing users to run a wide range of simulations. In the SPECFEM3D Cartesian implementation the user can run waveform simulations on a range of pre-loaded meshes and velocity models for specific areas, or upload their own velocity model and mesh. In the new SPECFEM3D globe implementation, the user will be able to select from a number of continent scale model regions, or perform waveform simulations for the whole earth. Earthquake focal mechanisms can be downloaded within the platform, for example from the GCMT catalogue, or users can upload their own focal mechanism catalogue through the platform. The simulations can be run on a range of European supercomputers in the PRACE network. Once a job has been submitted and run through the platform, the simulated waveforms can be manipulated or downloaded for further analysis. The misfit between the simulated and recorded waveforms can then be calculated through the platform through three interoperable workflows, for raw-data access (FDSN) and caching, pre-processing and finally misfit. The last workflow makes use of the Pyflex analysis software. In addition, the VERCE platform can be used to produce animations of waveform propagation through the velocity model, and synthetic shakemaps. All these data-products are made discoverable and re-usable thanks to the VERCE data and metadata management layer. We demonstrate the functionality of the VERCE platform with two use cases, one using the pre-loaded velocity model and mesh for the Maule area of Chile using the SPECFEM3D Cartesian workflow, and one showing the output of a global simulation using the SPECFEM3D globe workflow. It is envisioned that this tool will allow a much greater range of seismologists to access these full waveform inversion tools, and aid full waveform tomographic and source inversion, synthetic shakemap production and other full waveform applications, in a wide range of tectonic settings.

Science Gateways, Scientific Workflows and Open Community Software

NASA Astrophysics Data System (ADS)

Pierce, M. E.; Marru, S.

2014-12-01

Science gateways and scientific workflows occupy different ends of the spectrum of user-focused cyberinfrastructure. Gateways, sometimes called science portals, provide a way for enabling large numbers of users to take advantage of advanced computing resources (supercomputers, advanced storage systems, science clouds) by providing Web and desktop interfaces and supporting services. Scientific workflows, at the other end of the spectrum, support advanced usage of cyberinfrastructure that enable "power users" to undertake computational experiments that are not easily done through the usual mechanisms (managing simulations across multiple sites, for example). Despite these different target communities, gateways and workflows share many similarities and can potentially be accommodated by the same software system. For example, pipelines to process InSAR imagery sets or to datamine GPS time series data are workflows. The results and the ability to make downstream products may be made available through a gateway, and power users may want to provide their own custom pipelines. In this abstract, we discuss our efforts to build an open source software system, Apache Airavata, that can accommodate both gateway and workflow use cases. Our approach is general, and we have applied the software to problems in a number of scientific domains. In this talk, we discuss our applications to usage scenarios specific to earth science, focusing on earthquake physics examples drawn from the QuakSim.org and GeoGateway.org efforts. We also examine the role of the Apache Software Foundation's open community model as a way to build up common commmunity codes that do not depend upon a single "owner" to sustain. Pushing beyond open source software, we also see the need to provide gateways and workflow systems as cloud services. These services centralize operations, provide well-defined programming interfaces, scale elastically, and have global-scale fault tolerance. We discuss our work providing Apache Airavata as a hosted service to provide these features.

History of the numerical aerodynamic simulation program

NASA Technical Reports Server (NTRS)

Peterson, Victor L.; Ballhaus, William F., Jr.

1987-01-01

The Numerical Aerodynamic Simulation (NAS) program has reached a milestone with the completion of the initial operating configuration of the NAS Processing System Network. This achievement is the first major milestone in the continuing effort to provide a state-of-the-art supercomputer facility for the national aerospace community and to serve as a pathfinder for the development and use of future supercomputer systems. The underlying factors that motivated the initiation of the program are first identified and then discussed. These include the emergence and evolution of computational aerodynamics as a powerful new capability in aerodynamics research and development, the computer power required for advances in the discipline, the complementary nature of computation and wind tunnel testing, and the need for the government to play a pathfinding role in the development and use of large-scale scientific computing systems. Finally, the history of the NAS program is traced from its inception in 1975 to the present time.

Science & Technology Review November 2006

DOE Office of Scientific and Technical Information (OSTI.GOV)

Radousky, H

This months issue has the following articles: (1) Expanded Supercomputing Maximizes Scientific Discovery--Commentary by Dona Crawford; (2) Thunder's Power Delivers Breakthrough Science--Livermore's Thunder supercomputer allows researchers to model systems at scales never before possible. (3) Extracting Key Content from Images--A new system called the Image Content Engine is helping analysts find significant but hard-to-recognize details in overhead images. (4) Got Oxygen?--Oxygen, especially oxygen metabolism, was key to evolution, and a Livermore project helps find out why. (5) A Shocking New Form of Laserlike Light--According to research at Livermore, smashing a crystal with a shock wave can result in coherent light.

Promoting Higher Order Thinking Skills via IPTEACES e-Learning Framework in the Learning of Information Systems Units

ERIC Educational Resources Information Center

Isaias, Pedro; Issa, Tomayess; Pena, Nuno

2014-01-01

When developing and working with various types of devices from a supercomputer to an iPod Mini, it is essential to consider the issues of Human Computer Interaction (HCI) and Usability. Developers and designers must incorporate HCI, Usability and user satisfaction in their design plans to ensure that systems are easy to learn, effective,…

High Productivity Computing Systems and Competitiveness Initiative

DTIC Science & Technology

2007-07-01

planning committee for the annual, international Supercomputing Conference in 2004 and 2005. This is the leading HPC industry conference in the world. It...sector partnerships. Partnerships will form a key part of discussions at the 2nd High Performance Computing Users Conference, planned for July 13, 2005...other things an interagency roadmap for high-end computing core technologies and an accessibility improvement plan . Improving HPC Education and

Multi-petascale highly efficient parallel supercomputer

DOEpatents

Asaad, Sameh; Bellofatto, Ralph E.; Blocksome, Michael A.; Blumrich, Matthias A.; Boyle, Peter; Brunheroto, Jose R.; Chen, Dong; Cher, Chen -Yong; Chiu, George L.; Christ, Norman; Coteus, Paul W.; Davis, Kristan D.; Dozsa, Gabor J.; Eichenberger, Alexandre E.; Eisley, Noel A.; Ellavsky, Matthew R.; Evans, Kahn C.; Fleischer, Bruce M.; Fox, Thomas W.; Gara, Alan; Giampapa, Mark E.; Gooding, Thomas M.; Gschwind, Michael K.; Gunnels, John A.; Hall, Shawn A.; Haring, Rudolf A.; Heidelberger, Philip; Inglett, Todd A.; Knudson, Brant L.; Kopcsay, Gerard V.; Kumar, Sameer; Mamidala, Amith R.; Marcella, James A.; Megerian, Mark G.; Miller, Douglas R.; Miller, Samuel J.; Muff, Adam J.; Mundy, Michael B.; O'Brien, John K.; O'Brien, Kathryn M.; Ohmacht, Martin; Parker, Jeffrey J.; Poole, Ruth J.; Ratterman, Joseph D.; Salapura, Valentina; Satterfield, David L.; Senger, Robert M.; Smith, Brian; Steinmacher-Burow, Burkhard; Stockdell, William M.; Stunkel, Craig B.; Sugavanam, Krishnan; Sugawara, Yutaka; Takken, Todd E.; Trager, Barry M.; Van Oosten, James L.; Wait, Charles D.; Walkup, Robert E.; Watson, Alfred T.; Wisniewski, Robert W.; Wu, Peng

2015-07-14

A Multi-Petascale Highly Efficient Parallel Supercomputer of 100 petaOPS-scale computing, at decreased cost, power and footprint, and that allows for a maximum packaging density of processing nodes from an interconnect point of view. The Supercomputer exploits technological advances in VLSI that enables a computing model where many processors can be integrated into a single Application Specific Integrated Circuit (ASIC). Each ASIC computing node comprises a system-on-chip ASIC utilizing four or more processors integrated into one die, with each having full access to all system resources and enabling adaptive partitioning of the processors to functions such as compute or messaging I/O on an application by application basis, and preferably, enable adaptive partitioning of functions in accordance with various algorithmic phases within an application, or if I/O or other processors are underutilized, then can participate in computation or communication nodes are interconnected by a five dimensional torus network with DMA that optimally maximize the throughput of packet communications between nodes and minimize latency.

A secure file manager for UNIX

DOE Office of Scientific and Technical Information (OSTI.GOV)

DeVries, R.G.

1990-12-31

The development of a secure file management system for a UNIX-based computer facility with supercomputers and workstations is described. Specifically, UNIX in its usual form does not address: (1) Operation which would satisfy rigorous security requirements. (2) Online space management in an environment where total data demands would be many times the actual online capacity. (3) Making the file management system part of a computer network in which users of any computer in the local network could retrieve data generated on any other computer in the network. The characteristics of UNIX can be exploited to develop a portable, secure filemore » manager which would operate on computer systems ranging from workstations to supercomputers. Implementation considerations making unusual use of UNIX features, rather than requiring extensive internal system changes, are described, and implementation using the Cray Research Inc. UNICOS operating system is outlined.« less

Supercomputing 2002: NAS Demo Abstracts

NASA Technical Reports Server (NTRS)

Parks, John (Technical Monitor)

2002-01-01

The hyperwall is a new concept in visual supercomputing, conceived and developed by the NAS Exploratory Computing Group. The hyperwall will allow simultaneous and coordinated visualization and interaction of an array of processes, such as a the computations of a parameter study or the parallel evolutions of a genetic algorithm population. Making over 65 million pixels available to the user, the hyperwall will enable and elicit qualitatively new ways of leveraging computers to accomplish science. It is currently still unclear whether we will be able to transport the hyperwall to SC02. The crucial display frame still has not been completed by the metal fabrication shop, although they promised an August delivery. Also, we are still working the fragile node issue, which may require transplantation of the compute nodes from the present 2U cases into 3U cases. This modification will increase the present 3-rack configuration to 5 racks.

Parallel computation in a three-dimensional elastic-plastic finite-element analysis

NASA Technical Reports Server (NTRS)

Shivakumar, K. N.; Bigelow, C. A.; Newman, J. C., Jr.

1992-01-01

A CRAY parallel processing technique called autotasking was implemented in a three-dimensional elasto-plastic finite-element code. The technique was evaluated on two CRAY supercomputers, a CRAY 2 and a CRAY Y-MP. Autotasking was implemented in all major portions of the code, except the matrix equations solver. Compiler directives alone were not able to properly multitask the code; user-inserted directives were required to achieve better performance. It was noted that the connect time, rather than wall-clock time, was more appropriate to determine speedup in multiuser environments. For a typical example problem, a speedup of 2.1 (1.8 when the solution time was included) was achieved in a dedicated environment and 1.7 (1.6 with solution time) in a multiuser environment on a four-processor CRAY 2 supercomputer. The speedup on a three-processor CRAY Y-MP was about 2.4 (2.0 with solution time) in a multiuser environment.

Communication Characterization and Optimization of Applications Using Topology-Aware Task Mapping on Large Supercomputers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sreepathi, Sarat; D'Azevedo, Eduardo; Philip, Bobby

On large supercomputers, the job scheduling systems may assign a non-contiguous node allocation for user applications depending on available resources. With parallel applications using MPI (Message Passing Interface), the default process ordering does not take into account the actual physical node layout available to the application. This contributes to non-locality in terms of physical network topology and impacts communication performance of the application. In order to mitigate such performance penalties, this work describes techniques to identify suitable task mapping that takes the layout of the allocated nodes as well as the application's communication behavior into account. During the first phasemore » of this research, we instrumented and collected performance data to characterize communication behavior of critical US DOE (United States - Department of Energy) applications using an augmented version of the mpiP tool. Subsequently, we developed several reordering methods (spectral bisection, neighbor join tree etc.) to combine node layout and application communication data for optimized task placement. We developed a tool called mpiAproxy to facilitate detailed evaluation of the various reordering algorithms without requiring full application executions. This work presents a comprehensive performance evaluation (14,000 experiments) of the various task mapping techniques in lowering communication costs on Titan, the leadership class supercomputer at Oak Ridge National Laboratory.« less

JESPP: Joint Experimentation on Scalable Parallel Processors Supercomputers

DTIC Science & Technology

2010-03-01

were for the relatively small market of scientific and engineering applications. Contrast this with GPUs that are designed to improve the end- user...experience in mass- market arenas such as gaming. In order to get meaningful speed-up using the GPU, it was determined that the data transfer and...Included) Conference Year Effectively using a Large GPGPU-Enhanced Linux Cluster HPCMP UGC 2009 FLOPS per Watt: Heterogeneous-Computing’s Approach

An Automated, High-Throughput System for GISAXS and GIWAXS Measurements of Thin Films

NASA Astrophysics Data System (ADS)

Schaible, Eric; Jimenez, Jessica; Church, Matthew; Lim, Eunhee; Stewart, Polite; Hexemer, Alexander

Grazing incidence small-angle X-ray scattering (GISAXS) and grazing incidence wide-angle X-ray scattering (GIWAXS) are important techniques for characterizing thin films. In order to meet rapidly increasing demand, the SAXSWAXS beamline at the Advanced Light Source (beamline 7.3.3) has implemented a fully automated, high-throughput system to conduct SAXS, GISAXS and GIWAXS measurements. An automated robot arm transfers samples from a holding tray to a measurement stage. Intelligent software aligns each sample in turn, and measures each according to user-defined specifications. Users mail in trays of samples on individually barcoded pucks, and can download and view their data remotely. Data will be pipelined to the NERSC supercomputing facility, and will be available to users via a web portal that facilitates highly parallelized analysis.

VisIt: An End-User Tool for Visualizing and Analyzing Very Large Data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Childs, Hank; Brugger, Eric; Whitlock, Brad

2012-11-01

VisIt is a popular open source tool for visualizing and analyzing big data. It owes its success to its foci of increasing data understanding, large data support, and providing a robust and usable product, as well as its underlying design that fits today's supercomputing landscape. This report, which draws heavily from an earlier publication at the SciDAC Conference in 2011 describes the VisIt project and its accomplishments.

Supercomputer Environments

DTIC Science & Technology

1990-01-09

data structures can easily be presented to the user interface. An emphasis of the Graph Browser was the realization of graph views and graph animation ... animation of the graph. Anima- tion of the graph includes changing node shapes, changing node and arc colors, changing node and arc text, and making...many graphs tend to be tree-like. Animtion of a graph is a useful feature. One of the primary goals of GMB was to support animated graphs. For animation

Quantum.Ligand.Dock: protein-ligand docking with quantum entanglement refinement on a GPU system.

PubMed

Kantardjiev, Alexander A

2012-07-01

Quantum.Ligand.Dock (protein-ligand docking with graphic processing unit (GPU) quantum entanglement refinement on a GPU system) is an original modern method for in silico prediction of protein-ligand interactions via high-performance docking code. The main flavour of our approach is a combination of fast search with a special account for overlooked physical interactions. On the one hand, we take care of self-consistency and proton equilibria mutual effects of docking partners. On the other hand, Quantum.Ligand.Dock is the the only docking server offering such a subtle supplement to protein docking algorithms as quantum entanglement contributions. The motivation for development and proposition of the method to the community hinges upon two arguments-the fundamental importance of quantum entanglement contribution in molecular interaction and the realistic possibility to implement it by the availability of supercomputing power. The implementation of sophisticated quantum methods is made possible by parallelization at several bottlenecks on a GPU supercomputer. The high-performance implementation will be of use for large-scale virtual screening projects, structural bioinformatics, systems biology and fundamental research in understanding protein-ligand recognition. The design of the interface is focused on feasibility and ease of use. Protein and ligand molecule structures are supposed to be submitted as atomic coordinate files in PDB format. A customization section is offered for addition of user-specified charges, extra ionogenic groups with intrinsic pK(a) values or fixed ions. Final predicted complexes are ranked according to obtained scores and provided in PDB format as well as interactive visualization in a molecular viewer. Quantum.Ligand.Dock server can be accessed at http://87.116.85.141/LigandDock.html.

OpenTopography: Addressing Big Data Challenges Using Cloud Computing, HPC, and Data Analytics

NASA Astrophysics Data System (ADS)

Crosby, C. J.; Nandigam, V.; Phan, M.; Youn, C.; Baru, C.; Arrowsmith, R.

2014-12-01

OpenTopography (OT) is a geoinformatics-based data facility initiated in 2009 for democratizing access to high-resolution topographic data, derived products, and tools. Hosted at the San Diego Supercomputer Center (SDSC), OT utilizes cyberinfrastructure, including large-scale data management, high-performance computing, and service-oriented architectures to provide efficient Web based access to large, high-resolution topographic datasets. OT collocates data with processing tools to enable users to quickly access custom data and derived products for their application. OT's ongoing R&D efforts aim to solve emerging technical challenges associated with exponential growth in data, higher order data products, as well as user base. Optimization of data management strategies can be informed by a comprehensive set of OT user access metrics that allows us to better understand usage patterns with respect to the data. By analyzing the spatiotemporal access patterns within the datasets, we can map areas of the data archive that are highly active (hot) versus the ones that are rarely accessed (cold). This enables us to architect a tiered storage environment consisting of high performance disk storage (SSD) for the hot areas and less expensive slower disk for the cold ones, thereby optimizing price to performance. From a compute perspective, OT is looking at cloud based solutions such as the Microsoft Azure platform to handle sudden increases in load. An OT virtual machine image in Microsoft's VM Depot can be invoked and deployed quickly in response to increased system demand. OT has also integrated SDSC HPC systems like the Gordon supercomputer into our infrastructure tier to enable compute intensive workloads like parallel computation of hydrologic routing on high resolution topography. This capability also allows OT to scale to HPC resources during high loads to meet user demand and provide more efficient processing. With a growing user base and maturing scientific user community comes new requests for algorithms and processing capabilities. To address this demand, OT is developing an extensible service based architecture for integrating community-developed software. This "plugable" approach to Web service deployment will enable new processing and analysis tools to run collocated with OT hosted data.

Will Your Next Supercomputer Come from Costco?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Farber, Rob

2007-04-15

A fun topic for April, one that is not an April fool’s joke, is that you can purchase a commodity 200+ Gflop (single-precision) Linux supercomputer for around $600 from your favorite electronic vendor. Yes, it’s true. Just walk in and ask for a Sony Playstation 3 (PS3), take it home and install Linux on it. IBM has provided an excellent tutorial for installing Linux and building applications at http://www-128.ibm.com/developerworks/power/library/pa-linuxps3-1. If you want to raise some eyebrows at work, then submit a purchase request for a Sony PS3 game console and watch the reactions as your paperwork wends its way throughmore » the procurement process.« less

The Pawsey Supercomputer geothermal cooling project

NASA Astrophysics Data System (ADS)

Regenauer-Lieb, K.; Horowitz, F.; Western Australian Geothermal Centre Of Excellence, T.

2010-12-01

The Australian Government has funded the Pawsey supercomputer in Perth, Western Australia, providing computational infrastructure intended to support the future operations of the Australian Square Kilometre Array radiotelescope and to boost next-generation computational geosciences in Australia. Supplementary funds have been directed to the development of a geothermal exploration well to research the potential for direct heat use applications at the Pawsey Centre site. Cooling the Pawsey supercomputer may be achieved by geothermal heat exchange rather than by conventional electrical power cooling, thus reducing the carbon footprint of the Pawsey Centre and demonstrating an innovative green technology that is widely applicable in industry and urban centres across the world. The exploration well is scheduled to be completed in 2013, with drilling due to commence in the third quarter of 2011. One year is allocated to finalizing the design of the exploration, monitoring and research well. Success in the geothermal exploration and research program will result in an industrial-scale geothermal cooling facility at the Pawsey Centre, and will provide a world-class student training environment in geothermal energy systems. A similar system is partially funded and in advanced planning to provide base-load air-conditioning for the main campus of the University of Western Australia. Both systems are expected to draw ~80-95 degrees C water from aquifers lying between 2000 and 3000 meters depth from naturally permeable rocks of the Perth sedimentary basin. The geothermal water will be run through absorption chilling devices, which only require heat (as opposed to mechanical work) to power a chilled water stream adequate to meet the cooling requirements. Once the heat has been removed from the geothermal water, licensing issues require the water to be re-injected back into the aquifer system. These systems are intended to demonstrate the feasibility of powering large-scale air-conditioning systems from the direct use of geothermal power from Hot Sedimentary Aquifer (HSA) systems. HSA systems underlie many of the world's population centers, and thus have the potential to offset a significant fraction of the world's consumption of electrical power for air-conditioning.

Accessing and Visualizing scientific spatiotemporal data

NASA Technical Reports Server (NTRS)

Katz, Daniel S.; Bergou, Attila; Berriman, Bruce G.; Block, Gary L.; Collier, Jim; Curkendall, David W.; Good, John; Husman, Laura; Jacob, Joseph C.; Laity, Anastasia;

Saving Water at Los Alamos National Laboratory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Erickson, Andy

Los Alamos National Laboratory decreased its water usage by 26 percent in 2014, with about one-third of the reduction attributable to using reclaimed water to cool a supercomputing center. The Laboratory's goal during 2014 was to use only re-purposed water to support the mission at the Strategic Computing Complex. Using reclaimed water from the Sanitary Effluent Reclamation Facility, or SERF, substantially decreased water usage and supported the overall mission. SERF collects industrial wastewater and treats it for reuse. The reclamation facility contributed more than 27 million gallons of re-purposed water to the Laboratory's computing center, a secured supercomputing facility thatmore » supports the Laboratory’s national security mission and is one of the institution’s larger water users. In addition to the strategic water reuse program at SERF, the Laboratory reduced water use in 2014 by focusing conservation efforts on areas that use the most water, upgrading to water-conserving fixtures, and repairing leaks identified in a biennial survey.« less

Saving Water at Los Alamos National Laboratory

ScienceCinema

Erickson, Andy

2018-01-16

Los Alamos National Laboratory decreased its water usage by 26 percent in 2014, with about one-third of the reduction attributable to using reclaimed water to cool a supercomputing center. The Laboratory's goal during 2014 was to use only re-purposed water to support the mission at the Strategic Computing Complex. Using reclaimed water from the Sanitary Effluent Reclamation Facility, or SERF, substantially decreased water usage and supported the overall mission. SERF collects industrial wastewater and treats it for reuse. The reclamation facility contributed more than 27 million gallons of re-purposed water to the Laboratory's computing center, a secured supercomputing facility that supports the Laboratory’s national security mission and is one of the institution’s larger water users. In addition to the strategic water reuse program at SERF, the Laboratory reduced water use in 2014 by focusing conservation efforts on areas that use the most water, upgrading to water-conserving fixtures, and repairing leaks identified in a biennial survey.

The core legion object model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lewis, M.; Grimshaw, A.

1996-12-31

The Legion project at the University of Virginia is an architecture for designing and building system services that provide the illusion of a single virtual machine to users, a virtual machine that provides secure shared object and shared name spaces, application adjustable fault-tolerance, improved response time, and greater throughput. Legion targets wide area assemblies of workstations, supercomputers, and parallel supercomputers, Legion tackles problems not solved by existing workstation based parallel processing tools; the system will enable fault-tolerance, wide area parallel processing, inter-operability, heterogeneity, a single global name space, protection, security, efficient scheduling, and comprehensive resource management. This paper describes themore » core Legion object model, which specifies the composition and functionality of Legion`s core objects-those objects that cooperate to create, locate, manage, and remove objects in the Legion system. The object model facilitates a flexible extensible implementation, provides a single global name space, grants site autonomy to participating organizations, and scales to millions of sites and trillions of objects.« less

Collaborative Supercomputing for Global Change Science

NASA Astrophysics Data System (ADS)

Nemani, R.; Votava, P.; Michaelis, A.; Melton, F.; Milesi, C.

2011-03-01

There is increasing pressure on the science community not only to understand how recent and projected changes in climate will affect Earth's global environment and the natural resources on which society depends but also to design solutions to mitigate or cope with the likely impacts. Responding to this multidimensional challenge requires new tools and research frameworks that assist scientists in collaborating to rapidly investigate complex interdisciplinary science questions of critical societal importance. One such collaborative research framework, within the NASA Earth sciences program, is the NASA Earth Exchange (NEX). NEX combines state-of-the-art supercomputing, Earth system modeling, remote sensing data from NASA and other agencies, and a scientific social networking platform to deliver a complete work environment. In this platform, users can explore and analyze large Earth science data sets, run modeling codes, collaborate on new or existing projects, and share results within or among communities (see Figure S1 in the online supplement to this Eos issue (http://www.agu.org/eos_elec)).

SNS programming environment user's guide

NASA Technical Reports Server (NTRS)

Tennille, Geoffrey M.; Howser, Lona M.; Humes, D. Creig; Cronin, Catherine K.; Bowen, John T.; Drozdowski, Joseph M.; Utley, Judith A.; Flynn, Theresa M.; Austin, Brenda A.

1992-01-01

The computing environment is briefly described for the Supercomputing Network Subsystem (SNS) of the Central Scientific Computing Complex of NASA Langley. The major SNS computers are a CRAY-2, a CRAY Y-MP, a CONVEX C-210, and a CONVEX C-220. The software is described that is common to all of these computers, including: the UNIX operating system, computer graphics, networking utilities, mass storage, and mathematical libraries. Also described is file management, validation, SNS configuration, documentation, and customer services.

Compilation of Abstracts of Theses Submitted by Candidates for Degrees: October 1990 to September 1991

DTIC Science & Technology

1991-09-30

Tool (ASSET) COMPUTER SCIENCE Vicki Sue Abel VIEWER - A User Interface for Failure 49 Lieutenant Commander, U.S. Navy Region Analysis and Medio Monti...California Current System using a Primitive Equation Model Charles C. McGlothin, Jr. Ambient Sound in the Ocean Induced by 257 Lieutenant, U.S. Navy Heavy...parameters,, and ambient flow/oscillating flow combinations using VAX-3520 and NASA’s Supercomputers. Extensive sensitivity analysis has been performed

Server-side Log Data Analytics for I/O Workload Characterization and Coordination on Large Shared Storage Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Y.; Gunasekaran, Raghul; Ma, Xiaosong

2016-01-01

Inter-application I/O contention and performance interference have been recognized as severe problems. In this work, we demonstrate, through measurement from Titan (world s No. 3 supercomputer), that high I/O variance co-exists with the fact that individual storage units remain under-utilized for the majority of the time. This motivates us to propose AID, a system that performs automatic application I/O characterization and I/O-aware job scheduling. AID analyzes existing I/O traffic and batch job history logs, without any prior knowledge on applications or user/developer involvement. It identifies the small set of I/O-intensive candidates among all applications running on a supercomputer and subsequentlymore » mines their I/O patterns, using more detailed per-I/O-node traffic logs. Based on such auto- extracted information, AID provides online I/O-aware scheduling recommendations to steer I/O-intensive applications away from heavy ongoing I/O activities. We evaluate AID on Titan, using both real applications (with extracted I/O patterns validated by contacting users) and our own pseudo-applications. Our results confirm that AID is able to (1) identify I/O-intensive applications and their detailed I/O characteristics, and (2) significantly reduce these applications I/O performance degradation/variance by jointly evaluating out- standing applications I/O pattern and real-time system l/O load.« less

Machine learning for micro-tomography

NASA Astrophysics Data System (ADS)

Parkinson, Dilworth Y.; Pelt, Daniël. M.; Perciano, Talita; Ushizima, Daniela; Krishnan, Harinarayan; Barnard, Harold S.; MacDowell, Alastair A.; Sethian, James

2017-09-01

Machine learning has revolutionized a number of fields, but many micro-tomography users have never used it for their work. The micro-tomography beamline at the Advanced Light Source (ALS), in collaboration with the Center for Applied Mathematics for Energy Research Applications (CAMERA) at Lawrence Berkeley National Laboratory, has now deployed a series of tools to automate data processing for ALS users using machine learning. This includes new reconstruction algorithms, feature extraction tools, and image classification and recommen- dation systems for scientific image. Some of these tools are either in automated pipelines that operate on data as it is collected or as stand-alone software. Others are deployed on computing resources at Berkeley Lab-from workstations to supercomputers-and made accessible to users through either scripting or easy-to-use graphical interfaces. This paper presents a progress report on this work.

Modeling Large Scale Circuits Using Massively Parallel Descrete-Event Simulation

DTIC Science & Technology

2013-06-01

exascale levels of performance, the smallest elements of a single processor can greatly affect the entire computer system (e.g. its power consumption...grow to exascale levels of performance, the smallest elements of a single processor can greatly affect the entire computer system (e.g. its power...Warp Speed 10.0. 2.0 INTRODUCTION As supercomputer systems approach exascale , the core count will exceed 1024 and number of transistors used in

Data Transfer Study HPSS Archiving

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wynne, James; Parete-Koon, Suzanne T; Mitchell, Quinn

2015-01-01

The movement of the large amounts of data produced by codes run in a High Performance Computing (HPC) environment can be a bottleneck for project workflows. To balance filesystem capacity and performance requirements, HPC centers enforce data management policies to purge old files to make room for new computation and analysis results. Users at Oak Ridge Leadership Computing Facility (OLCF) and many other HPC user facilities must archive data to avoid data loss during purges, therefore the time associated with data movement for archiving is something that all users must consider. This study observed the difference in transfer speed frommore » the originating location on the Lustre filesystem to the more permanent High Performance Storage System (HPSS). The tests were done with a number of different transfer methods for files that spanned a variety of sizes and compositions that reflect OLCF user data. This data will be used to help users of Titan and other Cray supercomputers plan their workflow and data transfers so that they are most efficient for their project. We will also discuss best practice for maintaining data at shared user facilities.« less

Comprehensive efficiency analysis of supercomputer resource usage based on system monitoring data

NASA Astrophysics Data System (ADS)

Mamaeva, A. A.; Shaykhislamov, D. I.; Voevodin, Vad V.; Zhumatiy, S. A.

2018-03-01

One of the main problems of modern supercomputers is the low efficiency of their usage, which leads to the significant idle time of computational resources, and, in turn, to the decrease in speed of scientific research. This paper presents three approaches to study the efficiency of supercomputer resource usage based on monitoring data analysis. The first approach performs an analysis of computing resource utilization statistics, which allows to identify different typical classes of programs, to explore the structure of the supercomputer job flow and to track overall trends in the supercomputer behavior. The second approach is aimed specifically at analyzing off-the-shelf software packages and libraries installed on the supercomputer, since efficiency of their usage is becoming an increasingly important factor for the efficient functioning of the entire supercomputer. Within the third approach, abnormal jobs – jobs with abnormally inefficient behavior that differs significantly from the standard behavior of the overall supercomputer job flow – are being detected. For each approach, the results obtained in practice in the Supercomputer Center of Moscow State University are demonstrated.

Performance Evaluation and Modeling Techniques for Parallel Processors. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Dimpsey, Robert Tod

1992-01-01

In practice, the performance evaluation of supercomputers is still substantially driven by singlepoint estimates of metrics (e.g., MFLOPS) obtained by running characteristic benchmarks or workloads. With the rapid increase in the use of time-shared multiprogramming in these systems, such measurements are clearly inadequate. This is because multiprogramming and system overhead, as well as other degradations in performance due to time varying characteristics of workloads, are not taken into account. In multiprogrammed environments, multiple jobs and users can dramatically increase the amount of system overhead and degrade the performance of the machine. Performance techniques, such as benchmarking, which characterize performance on a dedicated machine ignore this major component of true computer performance. Due to the complexity of analysis, there has been little work done in analyzing, modeling, and predicting the performance of applications in multiprogrammed environments. This is especially true for parallel processors, where the costs and benefits of multi-user workloads are exacerbated. While some may claim that the issue of multiprogramming is not a viable one in the supercomputer market, experience shows otherwise. Even in recent massively parallel machines, multiprogramming is a key component. It has even been claimed that a partial cause of the demise of the CM2 was the fact that it did not efficiently support time-sharing. In the same paper, Gordon Bell postulates that, multicomputers will evolve to multiprocessors in order to support efficient multiprogramming. Therefore, it is clear that parallel processors of the future will be required to offer the user a time-shared environment with reasonable response times for the applications. In this type of environment, the most important performance metric is the completion of response time of a given application. However, there are a few evaluation efforts addressing this issue.

Data distribution satellite

NASA Technical Reports Server (NTRS)

Stevens, Grady H.

1992-01-01

The Data Distribution Satellite (DDS), operating in conjunction with the planned space network, the National Research and Education Network and its commercial derivatives, would play a key role in networking the emerging supercomputing facilities, national archives, academic, industrial, and government institutions. Centrally located over the United States in geostationary orbit, DDS would carry sophisticated on-board switching and make use of advanced antennas to provide an array of special services. Institutions needing continuous high data rate service would be networked together by use of a microwave switching matrix and electronically steered hopping beams. Simultaneously, DDS would use other beams and on board processing to interconnect other institutions with lesser, low rate, intermittent needs. Dedicated links to White Sands and other facilities would enable direct access to space payloads and sensor data. Intersatellite links to a second generation ATDRS, called Advanced Space Data Acquisition and Communications System (ASDACS), would eliminate one satellite hop and enhance controllability of experimental payloads by reducing path delay. Similarly, direct access would be available to the supercomputing facilities and national data archives. Economies with DDS would be derived from its ability to switch high rate facilities amongst users needed. At the same time, having a CONUS view, DDS would interconnect with any institution regardless of how remote. Whether one needed high rate service or low rate service would be immaterial. With the capability to assign resources on demand, DDS will need only carry a portion of the resources needed if dedicated facilities were used. Efficiently switching resources to users as needed, DDS would become a very feasible spacecraft, even though it would tie together the space network, the terrestrial network, remote sites, 1000's of small users, and those few who need very large data links intermittently.

iVirus: facilitating new insights in viral ecology with software and community data sets imbedded in a cyberinfrastructure.

PubMed

Bolduc, Benjamin; Youens-Clark, Ken; Roux, Simon; Hurwitz, Bonnie L; Sullivan, Matthew B

2017-01-01

Microbes affect nutrient and energy transformations throughout the world's ecosystems, yet they do so under viral constraints. In complex communities, viral metagenome (virome) sequencing is transforming our ability to quantify viral diversity and impacts. Although some bottlenecks, for example, few reference genomes and nonquantitative viromics, have been overcome, the void of centralized data sets and specialized tools now prevents viromics from being broadly applied to answer fundamental ecological questions. Here we present iVirus, a community resource that leverages the CyVerse cyberinfrastructure to provide access to viromic tools and data sets. The iVirus Data Commons contains both raw and processed data from 1866 samples and 73 projects derived from global ocean expeditions, as well as existing and legacy public repositories. Through the CyVerse Discovery Environment, users can interrogate these data sets using existing analytical tools (software applications known as 'Apps') for assembly, open reading frame prediction and annotation, as well as several new Apps specifically developed for analyzing viromes. Because Apps are web based and powered by CyVerse supercomputing resources, they enable scalable analyses for a broad user base. Finally, a use-case scenario documents how to apply these advances toward new data. This growing iVirus resource should help researchers utilize viromics as yet another tool to elucidate viral roles in nature.

iVirus: facilitating new insights in viral ecology with software and community data sets imbedded in a cyberinfrastructure

PubMed Central

Bolduc, Benjamin; Youens-Clark, Ken; Roux, Simon; Hurwitz, Bonnie L; Sullivan, Matthew B

2017-01-01

Microbes affect nutrient and energy transformations throughout the world's ecosystems, yet they do so under viral constraints. In complex communities, viral metagenome (virome) sequencing is transforming our ability to quantify viral diversity and impacts. Although some bottlenecks, for example, few reference genomes and nonquantitative viromics, have been overcome, the void of centralized data sets and specialized tools now prevents viromics from being broadly applied to answer fundamental ecological questions. Here we present iVirus, a community resource that leverages the CyVerse cyberinfrastructure to provide access to viromic tools and data sets. The iVirus Data Commons contains both raw and processed data from 1866 samples and 73 projects derived from global ocean expeditions, as well as existing and legacy public repositories. Through the CyVerse Discovery Environment, users can interrogate these data sets using existing analytical tools (software applications known as ‘Apps') for assembly, open reading frame prediction and annotation, as well as several new Apps specifically developed for analyzing viromes. Because Apps are web based and powered by CyVerse supercomputing resources, they enable scalable analyses for a broad user base. Finally, a use-case scenario documents how to apply these advances toward new data. This growing iVirus resource should help researchers utilize viromics as yet another tool to elucidate viral roles in nature. PMID:27420028

Supercomputer applications in molecular modeling.

PubMed

Gund, T M

1988-01-01

An overview of the functions performed by molecular modeling is given. Molecular modeling techniques benefiting from supercomputing are described, namely, conformation, search, deriving bioactive conformations, pharmacophoric pattern searching, receptor mapping, and electrostatic properties. The use of supercomputers for problems that are computationally intensive, such as protein structure prediction, protein dynamics and reactivity, protein conformations, and energetics of binding is also examined. The current status of supercomputing and supercomputer resources are discussed.

Vectorized program architectures for supercomputer-aided circuit design

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rizzoli, V.; Ferlito, M.; Neri, A.

1986-01-01

Vector processors (supercomputers) can be effectively employed in MIC or MMIC applications to solve problems of large numerical size such as broad-band nonlinear design or statistical design (yield optimization). In order to fully exploit the capabilities of a vector hardware, any program architecture must be structured accordingly. This paper presents a possible approach to the ''semantic'' vectorization of microwave circuit design software. Speed-up factors of the order of 50 can be obtained on a typical vector processor (Cray X-MP), with respect to the most powerful scaler computers (CDC 7600), with cost reductions of more than one order of magnitude. Thismore » could broaden the horizon of microwave CAD techniques to include problems that are practically out of the reach of conventional systems.« less

The BlueGene/L supercomputer

NASA Astrophysics Data System (ADS)

Bhanota, Gyan; Chen, Dong; Gara, Alan; Vranas, Pavlos

2003-05-01

The architecture of the BlueGene/L massively parallel supercomputer is described. Each computing node consists of a single compute ASIC plus 256 MB of external memory. The compute ASIC integrates two 700 MHz PowerPC 440 integer CPU cores, two 2.8 Gflops floating point units, 4 MB of embedded DRAM as cache, a memory controller for external memory, six 1.4 Gbit/s bi-directional ports for a 3-dimensional torus network connection, three 2.8 Gbit/s bi-directional ports for connecting to a global tree network and a Gigabit Ethernet for I/O. 65,536 of such nodes are connected into a 3-d torus with a geometry of 32×32×64. The total peak performance of the system is 360 Teraflops and the total amount of memory is 16 TeraBytes.

Improving Memory Error Handling Using Linux

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carlton, Michael Andrew; Blanchard, Sean P.; Debardeleben, Nathan A.

As supercomputers continue to get faster and more powerful in the future, they will also have more nodes. If nothing is done, then the amount of memory in supercomputer clusters will soon grow large enough that memory failures will be unmanageable to deal with by manually replacing memory DIMMs. "Improving Memory Error Handling Using Linux" is a process oriented method to solve this problem by using the Linux kernel to disable (offline) faulty memory pages containing bad addresses, preventing them from being used again by a process. The process of offlining memory pages simplifies error handling and results in reducingmore » both hardware and manpower costs required to run Los Alamos National Laboratory (LANL) clusters. This process will be necessary for the future of supercomputing to allow the development of exascale computers. It will not be feasible without memory error handling to manually replace the number of DIMMs that will fail daily on a machine consisting of 32-128 petabytes of memory. Testing reveals the process of offlining memory pages works and is relatively simple to use. As more and more testing is conducted, the entire process will be automated within the high-performance computing (HPC) monitoring software, Zenoss, at LANL.« less

Supercomputing with TOUGH2 family codes for coupled multi-physics simulations of geologic carbon sequestration

NASA Astrophysics Data System (ADS)

Yamamoto, H.; Nakajima, K.; Zhang, K.; Nanai, S.

2015-12-01

Powerful numerical codes that are capable of modeling complex coupled processes of physics and chemistry have been developed for predicting the fate of CO2 in reservoirs as well as its potential impacts on groundwater and subsurface environments. However, they are often computationally demanding for solving highly non-linear models in sufficient spatial and temporal resolutions. Geological heterogeneity and uncertainties further increase the challenges in modeling works. Two-phase flow simulations in heterogeneous media usually require much longer computational time than that in homogeneous media. Uncertainties in reservoir properties may necessitate stochastic simulations with multiple realizations. Recently, massively parallel supercomputers with more than thousands of processors become available in scientific and engineering communities. Such supercomputers may attract attentions from geoscientist and reservoir engineers for solving the large and non-linear models in higher resolutions within a reasonable time. However, for making it a useful tool, it is essential to tackle several practical obstacles to utilize large number of processors effectively for general-purpose reservoir simulators. We have implemented massively-parallel versions of two TOUGH2 family codes (a multi-phase flow simulator TOUGH2 and a chemically reactive transport simulator TOUGHREACT) on two different types (vector- and scalar-type) of supercomputers with a thousand to tens of thousands of processors. After completing implementation and extensive tune-up on the supercomputers, the computational performance was measured for three simulations with multi-million grid models, including a simulation of the dissolution-diffusion-convection process that requires high spatial and temporal resolutions to simulate the growth of small convective fingers of CO2-dissolved water to larger ones in a reservoir scale. The performance measurement confirmed that the both simulators exhibit excellent scalabilities showing almost linear speedup against number of processors up to over ten thousand cores. Generally this allows us to perform coupled multi-physics (THC) simulations on high resolution geologic models with multi-million grid in a practical time (e.g., less than a second per time step).

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zgurskaya, Helen; Smith, Jeremy

ORNL leveraged powerful supercomputing to support research led by University of Oklahoma scientists to identify chemicals that seek out and disrupt bacterial proteins called efflux pumps, known to be a major cause of antibiotic resistance. By running simulations on Titan, the team selected molecules most likely to target and potentially disable the assembly of efflux pumps found in E. coli bacteria cells.

Deploying the ODISEES Ontology-guided Search in the NASA Earth Exchange (NEX)

NASA Astrophysics Data System (ADS)

Huffer, E.; Gleason, J. L.; Cotnoir, M.; Spaulding, R.; Deardorff, G.

2016-12-01

Robust, semantically rich metadata can support data discovery and access, and facilitate machine-to-machine transactions with services such as data subsetting, regridding, and reformatting. Despite this, for users not already familiar with the data in a given archive, most metadata is insufficient to help them find appropriate data for their projects. With this in mind, the Ontology-driven Interactive Search Environment (ODISEES) Data Discovery Portal was developed to enable users to find and download data variables that satisfy precise, parameter-level criteria, even when they know little or nothing about the naming conventions employed by data providers, or where suitable data might be archived. ODISEES relies on an Earth science ontology and metadata repository that provide an ontological framework for describing NASA data holdings with enough detail and fidelity to enable researchers to find, compare and evaluate individual data variables. Users can search for data by indicating the specific parameters desired, and comparing the results in a table that lets them quickly determine which data is most suitable. ODISEES and OLYMPUS, a tool for generating the semantically enhanced metadata used by ODISEES, are being developed in collaboration with the NASA Earth Exchange (NEX) project at the NASA Ames Research Center to prototype a robust data discovery and access service that could be made available to NEX users. NEX is a collaborative platform that provides researchers with access to TB to PB-scale datasets and analysis tools to operate on those data. By integrating ODISEES into the NEX Web Portal we hope to enable NEX users to locate datasets relevant to their research and download them directly into the NAS environment, where they can run applications using those datasets on the NAS supercomputers. This poster will describe the prototype integration of ODISEES into the NEX portal development environment, the mechanism implemented to use NASA APIs to retrieve data, and the approach to transfer data into the NAS supercomputing environment. Finally, we will describe the end-to-end demonstration of the capabilities implemented. This work was funded by the Advanced Information Systems Technology Program of NASA's Research Opportunities in Space and Earth Science.

Understanding the I/O Performance Gap Between Cori KNL and Haswell

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Jialin; Koziol, Quincey; Tang, Houjun

2017-05-01

The Cori system at NERSC has two compute partitions with different CPU architectures: a 2,004 node Haswell partition and a 9,688 node KNL partition, which ranked as the 5th most powerful and fastest supercomputer on the November 2016 Top 500 list. The compute partitions share a common storage configuration, and understanding the IO performance gap between them is important, impacting not only to NERSC/LBNL users and other national labs, but also to the relevant hardware vendors and software developers. In this paper, we have analyzed performance of single core and single node IO comprehensively on the Haswell and KNL partitions,more » and have discovered the major bottlenecks, which include CPU frequencies and memory copy performance. We have also extended our performance tests to multi-node IO and revealed the IO cost difference caused by network latency, buffer size, and communication cost. Overall, we have developed a strong understanding of the IO gap between Haswell and KNL nodes and the lessons learned from this exploration will guide us in designing optimal IO solutions in many-core era.« less

48 CFR 252.225-7011 - Restriction on acquisition of supercomputers.

Code of Federal Regulations, 2010 CFR

2010-10-01

... of supercomputers. 252.225-7011 Section 252.225-7011 Federal Acquisition Regulations System DEFENSE... CLAUSES Text of Provisions And Clauses 252.225-7011 Restriction on acquisition of supercomputers. As prescribed in 225.7012-3, use the following clause: Restriction on Acquisition of Supercomputers (JUN 2005...

48 CFR 252.225-7011 - Restriction on acquisition of supercomputers.

Code of Federal Regulations, 2014 CFR

2014-10-01

... of supercomputers. 252.225-7011 Section 252.225-7011 Federal Acquisition Regulations System DEFENSE... CLAUSES Text of Provisions And Clauses 252.225-7011 Restriction on acquisition of supercomputers. As prescribed in 225.7012-3, use the following clause: Restriction on Acquisition of Supercomputers (JUN 2005...

48 CFR 252.225-7011 - Restriction on acquisition of supercomputers.

Code of Federal Regulations, 2012 CFR

2012-10-01

... of supercomputers. 252.225-7011 Section 252.225-7011 Federal Acquisition Regulations System DEFENSE... CLAUSES Text of Provisions And Clauses 252.225-7011 Restriction on acquisition of supercomputers. As prescribed in 225.7012-3, use the following clause: Restriction on Acquisition of Supercomputers (JUN 2005...

48 CFR 252.225-7011 - Restriction on acquisition of supercomputers.

Code of Federal Regulations, 2013 CFR

2013-10-01

... of supercomputers. 252.225-7011 Section 252.225-7011 Federal Acquisition Regulations System DEFENSE... CLAUSES Text of Provisions And Clauses 252.225-7011 Restriction on acquisition of supercomputers. As prescribed in 225.7012-3, use the following clause: Restriction on Acquisition of Supercomputers (JUN 2005...

48 CFR 252.225-7011 - Restriction on acquisition of supercomputers.

Code of Federal Regulations, 2011 CFR

2011-10-01

... of supercomputers. 252.225-7011 Section 252.225-7011 Federal Acquisition Regulations System DEFENSE... CLAUSES Text of Provisions And Clauses 252.225-7011 Restriction on acquisition of supercomputers. As prescribed in 225.7012-3, use the following clause: Restriction on Acquisition of Supercomputers (JUN 2005...

Heavy-tailed distribution of the SSH Brute-force attack duration in a multi-user environment

NASA Astrophysics Data System (ADS)

Lee, Jae-Kook; Kim, Sung-Jun; Park, Chan Yeol; Hong, Taeyoung; Chae, Huiseung

2016-07-01

Quite a number of cyber-attacks to be place against supercomputers that provide highperformance computing (HPC) services to public researcher. Particularly, although the secure shell protocol (SSH) brute-force attack is one of the traditional attack methods, it is still being used. Because stealth attacks that feign regular access may occur, they are even harder to detect. In this paper, we introduce methods to detect SSH brute-force attacks by analyzing the server's unsuccessful access logs and the firewall's drop events in a multi-user environment. Then, we analyze the durations of the SSH brute-force attacks that are detected by applying these methods. The results of an analysis of about 10 thousands attack source IP addresses show that the behaviors of abnormal users using SSH brute-force attacks are based on human dynamic characteristics of a typical heavy-tailed distribution.

Automation of Data Traffic Control on DSM Architecture

NASA Technical Reports Server (NTRS)

Frumkin, Michael; Jin, Hao-Qiang; Yan, Jerry

2001-01-01

The design of distributed shared memory (DSM) computers liberates users from the duty to distribute data across processors and allows for the incremental development of parallel programs using, for example, OpenMP or Java threads. DSM architecture greatly simplifies the development of parallel programs having good performance on a few processors. However, to achieve a good program scalability on DSM computers requires that the user understand data flow in the application and use various techniques to avoid data traffic congestions. In this paper we discuss a number of such techniques, including data blocking, data placement, data transposition and page size control and evaluate their efficiency on the NAS (NASA Advanced Supercomputing) Parallel Benchmarks. We also present a tool which automates the detection of constructs causing data congestions in Fortran array oriented codes and advises the user on code transformations for improving data traffic in the application.

GRAPEVINE: Grids about anything by Poisson's equation in a visually interactive networking environment

NASA Technical Reports Server (NTRS)

Sorenson, Reese L.; Mccann, Karen

1992-01-01

A proven 3-D multiple-block elliptic grid generator, designed to run in 'batch mode' on a supercomputer, is improved by the creation of a modern graphical user interface (GUI) running on a workstation. The two parts are connected in real time by a network. The resultant system offers a significant speedup in the process of preparing and formatting input data and the ability to watch the grid solution converge by replotting the grid at each iteration step. The result is a reduction in user time and CPU time required to generate the grid and an enhanced understanding of the elliptic solution process. This software system, called GRAPEVINE, is described, and certain observations are made concerning the creation of such software.

Data-intensive computing on numerically-insensitive supercomputers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahrens, James P; Fasel, Patricia K; Habib, Salman

2010-12-03

With the advent of the era of petascale supercomputing, via the delivery of the Roadrunner supercomputing platform at Los Alamos National Laboratory, there is a pressing need to address the problem of visualizing massive petascale-sized results. In this presentation, I discuss progress on a number of approaches including in-situ analysis, multi-resolution out-of-core streaming and interactive rendering on the supercomputing platform. These approaches are placed in context by the emerging area of data-intensive supercomputing.

Computer Electromagnetics and Supercomputer Architecture

NASA Technical Reports Server (NTRS)

Cwik, Tom

1993-01-01

The dramatic increase in performance over the last decade for microporcessor computations is compared with that for the supercomputer computations. This performance, the projected performance, and a number of other issues such as cost and the inherent pysical limitations in curent supercomputer technology have naturally led to parallel supercomputers and ensemble of interconnected microprocessors.

Calculation of Free Energy Landscape in Multi-Dimensions with Hamiltonian-Exchange Umbrella Sampling on Petascale Supercomputer.

PubMed

Jiang, Wei; Luo, Yun; Maragliano, Luca; Roux, Benoît

2012-11-13

An extremely scalable computational strategy is described for calculations of the potential of mean force (PMF) in multidimensions on massively distributed supercomputers. The approach involves coupling thousands of umbrella sampling (US) simulation windows distributed to cover the space of order parameters with a Hamiltonian molecular dynamics replica-exchange (H-REMD) algorithm to enhance the sampling of each simulation. In the present application, US/H-REMD is carried out in a two-dimensional (2D) space and exchanges are attempted alternatively along the two axes corresponding to the two order parameters. The US/H-REMD strategy is implemented on the basis of parallel/parallel multiple copy protocol at the MPI level, and therefore can fully exploit computing power of large-scale supercomputers. Here the novel technique is illustrated using the leadership supercomputer IBM Blue Gene/P with an application to a typical biomolecular calculation of general interest, namely the binding of calcium ions to the small protein Calbindin D9k. The free energy landscape associated with two order parameters, the distance between the ion and its binding pocket and the root-mean-square deviation (rmsd) of the binding pocket relative the crystal structure, was calculated using the US/H-REMD method. The results are then used to estimate the absolute binding free energy of calcium ion to Calbindin D9k. The tests demonstrate that the 2D US/H-REMD scheme greatly accelerates the configurational sampling of the binding pocket, thereby improving the convergence of the potential of mean force calculation.

Accelerating Science with the NERSC Burst Buffer Early User Program

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhimji, Wahid; Bard, Debbie; Romanus, Melissa

NVRAM-based Burst Buffers are an important part of the emerging HPC storage landscape. The National Energy Research Scientific Computing Center (NERSC) at Lawrence Berkeley National Laboratory recently installed one of the first Burst Buffer systems as part of its new Cori supercomputer, collaborating with Cray on the development of the DataWarp software. NERSC has a diverse user base comprised of over 6500 users in 700 different projects spanning a wide variety of scientific computing applications. The use-cases of the Burst Buffer at NERSC are therefore also considerable and diverse. We describe here performance measurements and lessons learned from the Burstmore » Buffer Early User Program at NERSC, which selected a number of research projects to gain early access to the Burst Buffer and exercise its capability to enable new scientific advancements. To the best of our knowledge this is the first time a Burst Buffer has been stressed at scale by diverse, real user workloads and therefore these lessons will be of considerable benefit to shaping the developing use of Burst Buffers at HPC centers.« less

SISYPHUS: A high performance seismic inversion factory

NASA Astrophysics Data System (ADS)

Gokhberg, Alexey; Simutė, Saulė; Boehm, Christian; Fichtner, Andreas

2016-04-01

In the recent years the massively parallel high performance computers became the standard instruments for solving the forward and inverse problems in seismology. The respective software packages dedicated to forward and inverse waveform modelling specially designed for such computers (SPECFEM3D, SES3D) became mature and widely available. These packages achieve significant computational performance and provide researchers with an opportunity to solve problems of bigger size at higher resolution within a shorter time. However, a typical seismic inversion process contains various activities that are beyond the common solver functionality. They include management of information on seismic events and stations, 3D models, observed and synthetic seismograms, pre-processing of the observed signals, computation of misfits and adjoint sources, minimization of misfits, and process workflow management. These activities are time consuming, seldom sufficiently automated, and therefore represent a bottleneck that can substantially offset performance benefits provided by even the most powerful modern supercomputers. Furthermore, a typical system architecture of modern supercomputing platforms is oriented towards the maximum computational performance and provides limited standard facilities for automation of the supporting activities. We present a prototype solution that automates all aspects of the seismic inversion process and is tuned for the modern massively parallel high performance computing systems. We address several major aspects of the solution architecture, which include (1) design of an inversion state database for tracing all relevant aspects of the entire solution process, (2) design of an extensible workflow management framework, (3) integration with wave propagation solvers, (4) integration with optimization packages, (5) computation of misfits and adjoint sources, and (6) process monitoring. The inversion state database represents a hierarchical structure with branches for the static process setup, inversion iterations, and solver runs, each branch specifying information at the event, station and channel levels. The workflow management framework is based on an embedded scripting engine that allows definition of various workflow scenarios using a high-level scripting language and provides access to all available inversion components represented as standard library functions. At present the SES3D wave propagation solver is integrated in the solution; the work is in progress for interfacing with SPECFEM3D. A separate framework is designed for interoperability with an optimization module; the workflow manager and optimization process run in parallel and cooperate by exchanging messages according to a specially designed protocol. A library of high-performance modules implementing signal pre-processing, misfit and adjoint computations according to established good practices is included. Monitoring is based on information stored in the inversion state database and at present implements a command line interface; design of a graphical user interface is in progress. The software design fits well into the common massively parallel system architecture featuring a large number of computational nodes running distributed applications under control of batch-oriented resource managers. The solution prototype has been implemented on the "Piz Daint" supercomputer provided by the Swiss Supercomputing Centre (CSCS).

NASA Exhibits

NASA Technical Reports Server (NTRS)

Deardorff, Glenn; Djomehri, M. Jahed; Freeman, Ken; Gambrel, Dave; Green, Bryan; Henze, Chris; Hinke, Thomas; Hood, Robert; Kiris, Cetin; Moran, Patrick;

Performance Evaluation of an Intel Haswell- and Ivy Bridge-Based Supercomputer Using Scientific and Engineering Applications

NASA Technical Reports Server (NTRS)

Saini, Subhash; Hood, Robert T.; Chang, Johnny; Baron, John

2016-01-01

We present a performance evaluation conducted on a production supercomputer of the Intel Xeon Processor E5- 2680v3, a twelve-core implementation of the fourth-generation Haswell architecture, and compare it with Intel Xeon Processor E5-2680v2, an Ivy Bridge implementation of the third-generation Sandy Bridge architecture. Several new architectural features have been incorporated in Haswell including improvements in all levels of the memory hierarchy as well as improvements to vector instructions and power management. We critically evaluate these new features of Haswell and compare with Ivy Bridge using several low-level benchmarks including subset of HPCC, HPCG and four full-scale scientific and engineering applications. We also present a model to predict the performance of HPCG and Cart3D within 5%, and Overflow within 10% accuracy.

A Computational framework for telemedicine.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Foster, I.; von Laszewski, G.; Thiruvathukal, G. K.

1998-07-01

Emerging telemedicine applications require the ability to exploit diverse and geographically distributed resources. Highspeed networks are used to integrate advanced visualization devices, sophisticated instruments, large databases, archival storage devices, PCs, workstations, and supercomputers. This form of telemedical environment is similar to networked virtual supercomputers, also known as metacomputers. Metacomputers are already being used in many scientific application areas. In this article, we analyze requirements necessary for a telemedical computing infrastructure and compare them with requirements found in a typical metacomputing environment. We will show that metacomputing environments can be used to enable a more powerful and unified computational infrastructure formore » telemedicine. The Globus metacomputing toolkit can provide the necessary low level mechanisms to enable a large scale telemedical infrastructure. The Globus toolkit components are designed in a modular fashion and can be extended to support the specific requirements for telemedicine.« less

Supercomputing in the Age of Discovering Superearths, Earths and Exoplanet Systems

NASA Technical Reports Server (NTRS)

Jenkins, Jon M.

2015-01-01

NASA's Kepler Mission was launched in March 2009 as NASA's first mission capable of finding Earth-size planets orbiting in the habitable zone of Sun-like stars, that range of distances for which liquid water would pool on the surface of a rocky planet. Kepler has discovered over 1000 planets and over 4600 candidates, many of them as small as the Earth. Today, Kepler's amazing success seems to be a fait accompli to those unfamiliar with her history. But twenty years ago, there were no planets known outside our solar system, and few people believed it was possible to detect tiny Earth-size planets orbiting other stars. Motivating NASA to select Kepler for launch required a confluence of the right detector technology, advances in signal processing and algorithms, and the power of supercomputing.

U.S. Department of Energy awards $200 million for next-generation

Science.gov Websites

build a powerful new next-gen supercomputer, Aurora. The press conference took place at Chicago tech Congress and industry at the announcement of DOE's award of $200 million to Argonne in order to build a accelerate to next-generation exascale computing. DOE earlier announced a $325 million investment to build

Parallel workflow manager for non-parallel bioinformatic applications to solve large-scale biological problems on a supercomputer.

PubMed

Suplatov, Dmitry; Popova, Nina; Zhumatiy, Sergey; Voevodin, Vladimir; Švedas, Vytas

2016-04-01

Rapid expansion of online resources providing access to genomic, structural, and functional information associated with biological macromolecules opens an opportunity to gain a deeper understanding of the mechanisms of biological processes due to systematic analysis of large datasets. This, however, requires novel strategies to optimally utilize computer processing power. Some methods in bioinformatics and molecular modeling require extensive computational resources. Other algorithms have fast implementations which take at most several hours to analyze a common input on a modern desktop station, however, due to multiple invocations for a large number of subtasks the full task requires a significant computing power. Therefore, an efficient computational solution to large-scale biological problems requires both a wise parallel implementation of resource-hungry methods as well as a smart workflow to manage multiple invocations of relatively fast algorithms. In this work, a new computer software mpiWrapper has been developed to accommodate non-parallel implementations of scientific algorithms within the parallel supercomputing environment. The Message Passing Interface has been implemented to exchange information between nodes. Two specialized threads - one for task management and communication, and another for subtask execution - are invoked on each processing unit to avoid deadlock while using blocking calls to MPI. The mpiWrapper can be used to launch all conventional Linux applications without the need to modify their original source codes and supports resubmission of subtasks on node failure. We show that this approach can be used to process huge amounts of biological data efficiently by running non-parallel programs in parallel mode on a supercomputer. The C++ source code and documentation are available from http://biokinet.belozersky.msu.ru/mpiWrapper .

Solving global shallow water equations on heterogeneous supercomputers

PubMed Central

Fu, Haohuan; Gan, Lin; Yang, Chao; Xue, Wei; Wang, Lanning; Wang, Xinliang; Huang, Xiaomeng; Yang, Guangwen

2017-01-01

The scientific demand for more accurate modeling of the climate system calls for more computing power to support higher resolutions, inclusion of more component models, more complicated physics schemes, and larger ensembles. As the recent improvements in computing power mostly come from the increasing number of nodes in a system and the integration of heterogeneous accelerators, how to scale the computing problems onto more nodes and various kinds of accelerators has become a challenge for the model development. This paper describes our efforts on developing a highly scalable framework for performing global atmospheric modeling on heterogeneous supercomputers equipped with various accelerators, such as GPU (Graphic Processing Unit), MIC (Many Integrated Core), and FPGA (Field Programmable Gate Arrays) cards. We propose a generalized partition scheme of the problem domain, so as to keep a balanced utilization of both CPU resources and accelerator resources. With optimizations on both computing and memory access patterns, we manage to achieve around 8 to 20 times speedup when comparing one hybrid GPU or MIC node with one CPU node with 12 cores. Using a customized FPGA-based data-flow engines, we see the potential to gain another 5 to 8 times improvement on performance. On heterogeneous supercomputers, such as Tianhe-1A and Tianhe-2, our framework is capable of achieving ideally linear scaling efficiency, and sustained double-precision performances of 581 Tflops on Tianhe-1A (using 3750 nodes) and 3.74 Pflops on Tianhe-2 (using 8644 nodes). Our study also provides an evaluation on the programming paradigm of various accelerator architectures (GPU, MIC, FPGA) for performing global atmospheric simulation, to form a picture about both the potential performance benefits and the programming efforts involved. PMID:28282428

Use of high performance networks and supercomputers for real-time flight simulation

NASA Technical Reports Server (NTRS)

Cleveland, Jeff I., II

1993-01-01

In order to meet the stringent time-critical requirements for real-time man-in-the-loop flight simulation, computer processing operations must be consistent in processing time and be completed in as short a time as possible. These operations include simulation mathematical model computation and data input/output to the simulators. In 1986, in response to increased demands for flight simulation performance, NASA's Langley Research Center (LaRC), working with the contractor, developed extensions to the Computer Automated Measurement and Control (CAMAC) technology which resulted in a factor of ten increase in the effective bandwidth and reduced latency of modules necessary for simulator communication. This technology extension is being used by more than 80 leading technological developers in the United States, Canada, and Europe. Included among the commercial applications are nuclear process control, power grid analysis, process monitoring, real-time simulation, and radar data acquisition. Personnel at LaRC are completing the development of the use of supercomputers for mathematical model computation to support real-time flight simulation. This includes the development of a real-time operating system and development of specialized software and hardware for the simulator network. This paper describes the data acquisition technology and the development of supercomputing for flight simulation.

48 CFR 225.7012 - Restriction on supercomputers.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 48 Federal Acquisition Regulations System 3 2014-10-01 2014-10-01 false Restriction on supercomputers. 225.7012 Section 225.7012 Federal Acquisition Regulations System DEFENSE ACQUISITION REGULATIONS... supercomputers. ...

48 CFR 225.7012 - Restriction on supercomputers.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 48 Federal Acquisition Regulations System 3 2010-10-01 2010-10-01 false Restriction on supercomputers. 225.7012 Section 225.7012 Federal Acquisition Regulations System DEFENSE ACQUISITION REGULATIONS... supercomputers. ...

48 CFR 225.7012 - Restriction on supercomputers.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 48 Federal Acquisition Regulations System 3 2013-10-01 2013-10-01 false Restriction on supercomputers. 225.7012 Section 225.7012 Federal Acquisition Regulations System DEFENSE ACQUISITION REGULATIONS... supercomputers. ...

48 CFR 225.7012 - Restriction on supercomputers.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 48 Federal Acquisition Regulations System 3 2011-10-01 2011-10-01 false Restriction on supercomputers. 225.7012 Section 225.7012 Federal Acquisition Regulations System DEFENSE ACQUISITION REGULATIONS... supercomputers. ...

48 CFR 225.7012 - Restriction on supercomputers.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 48 Federal Acquisition Regulations System 3 2012-10-01 2012-10-01 false Restriction on supercomputers. 225.7012 Section 225.7012 Federal Acquisition Regulations System DEFENSE ACQUISITION REGULATIONS... supercomputers. ...

Virtual Environments in Scientific Visualization

NASA Technical Reports Server (NTRS)

Bryson, Steve; Lisinski, T. A. (Technical Monitor)

1994-01-01

Virtual environment technology is a new way of approaching the interface between computers and humans. Emphasizing display and user control that conforms to the user's natural ways of perceiving and thinking about space, virtual environment technologies enhance the ability to perceive and interact with computer generated graphic information. This enhancement potentially has a major effect on the field of scientific visualization. Current examples of this technology include the Virtual Windtunnel being developed at NASA Ames Research Center. Other major institutions such as the National Center for Supercomputing Applications and SRI International are also exploring this technology. This talk will be describe several implementations of virtual environments for use in scientific visualization. Examples include the visualization of unsteady fluid flows (the virtual windtunnel), the visualization of geodesics in curved spacetime, surface manipulation, and examples developed at various laboratories.

Spatiotemporal modeling of node temperatures in supercomputers

DOE PAGES

Storlie, Curtis Byron; Reich, Brian James; Rust, William Newton; ...

2016-06-10

Los Alamos National Laboratory (LANL) is home to many large supercomputing clusters. These clusters require an enormous amount of power (~500-2000 kW each), and most of this energy is converted into heat. Thus, cooling the components of the supercomputer becomes a critical and expensive endeavor. Recently a project was initiated to investigate the effect that changes to the cooling system in a machine room had on three large machines that were housed there. Coupled with this goal was the aim to develop a general good-practice for characterizing the effect of cooling changes and monitoring machine node temperatures in this andmore » other machine rooms. This paper focuses on the statistical approach used to quantify the effect that several cooling changes to the room had on the temperatures of the individual nodes of the computers. The largest cluster in the room has 1,600 nodes that run a variety of jobs during general use. Since extremes temperatures are important, a Normal distribution plus generalized Pareto distribution for the upper tail is used to model the marginal distribution, along with a Gaussian process copula to account for spatio-temporal dependence. A Gaussian Markov random field (GMRF) model is used to model the spatial effects on the node temperatures as the cooling changes take place. This model is then used to assess the condition of the node temperatures after each change to the room. The analysis approach was used to uncover the cause of a problematic episode of overheating nodes on one of the supercomputing clusters. Lastly, this same approach can easily be applied to monitor and investigate cooling systems at other data centers, as well.« less

Automatic discovery of the communication network topology for building a supercomputer model

NASA Astrophysics Data System (ADS)

Sobolev, Sergey; Stefanov, Konstantin; Voevodin, Vadim

2016-10-01

The Research Computing Center of Lomonosov Moscow State University is developing the Octotron software suite for automatic monitoring and mitigation of emergency situations in supercomputers so as to maximize hardware reliability. The suite is based on a software model of the supercomputer. The model uses a graph to describe the computing system components and their interconnections. One of the most complex components of a supercomputer that needs to be included in the model is its communication network. This work describes the proposed approach for automatically discovering the Ethernet communication network topology in a supercomputer and its description in terms of the Octotron model. This suite automatically detects computing nodes and switches, collects information about them and identifies their interconnections. The application of this approach is demonstrated on the "Lomonosov" and "Lomonosov-2" supercomputers.

Supercomputing with toys: harnessing the power of NVIDIA 8800GTX and playstation 3 for bioinformatics problem.

PubMed

Wilson, Justin; Dai, Manhong; Jakupovic, Elvis; Watson, Stanley; Meng, Fan

2007-01-01

Modern video cards and game consoles typically have much better performance to price ratios than that of general purpose CPUs. The parallel processing capabilities of game hardware are well-suited for high throughput biomedical data analysis. Our initial results suggest that game hardware is a cost-effective platform for some computationally demanding bioinformatics problems.

Performance Data Gathering and Representation from Fixed-Size Statistical Data

NASA Technical Reports Server (NTRS)

Yan, Jerry C.; Jin, Haoqiang H.; Schmidt, Melisa A.; Kutler, Paul (Technical Monitor)

1997-01-01

The two commonly-used performance data types in the super-computing community, statistics and event traces, are discussed and compared. Statistical data are much more compact but lack the probative power event traces offer. Event traces, on the other hand, are unbounded and can easily fill up the entire file system during program execution. In this paper, we propose an innovative methodology for performance data gathering and representation that offers a middle ground. Two basic ideas are employed: the use of averages to replace recording data for each instance and 'formulae' to represent sequences associated with communication and control flow. The user can trade off tracing overhead, trace data size with data quality incrementally. In other words, the user will be able to limit the amount of trace data collected and, at the same time, carry out some of the analysis event traces offer using space-time views. With the help of a few simple examples, we illustrate the use of these techniques in performance tuning and compare the quality of the traces we collected with event traces. We found that the trace files thus obtained are, indeed, small, bounded and predictable before program execution, and that the quality of the space-time views generated from these statistical data are excellent. Furthermore, experimental results showed that the formulae proposed were able to capture all the sequences associated with 11 of the 15 applications tested. The performance of the formulae can be incrementally improved by allocating more memory at runtime to learn longer sequences.

Computing at the speed limit (supercomputers)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bernhard, R.

1982-07-01

The author discusses how unheralded efforts in the United States, mainly in universities, have removed major stumbling blocks to building cost-effective superfast computers for scientific and engineering applications within five years. These computers would have sustained speeds of billions of floating-point operations per second (flops), whereas with the fastest machines today the top sustained speed is only 25 million flops, with bursts to 160 megaflops. Cost-effective superfast machines can be built because of advances in very large-scale integration and the special software needed to program the new machines. VLSI greatly reduces the cost per unit of computing power. The developmentmore » of such computers would come at an opportune time. Although the US leads the world in large-scale computer technology, its supremacy is now threatened, not surprisingly, by the Japanese. Publicized reports indicate that the Japanese government is funding a cooperative effort by commercial computer manufacturers to develop superfast computers-about 1000 times faster than modern supercomputers. The US computer industry, by contrast, has balked at attempting to boost computer power so sharply because of the uncertain market for the machines and the failure of similar projects in the past to show significant results.« less

TOP500 Supercomputers for June 2004

DOE Office of Scientific and Technical Information (OSTI.GOV)

Strohmaier, Erich; Meuer, Hans W.; Dongarra, Jack

2004-06-23

23rd Edition of TOP500 List of World's Fastest Supercomputers Released: Japan's Earth Simulator Enters Third Year in Top Position MANNHEIM, Germany; KNOXVILLE, Tenn.;&BERKELEY, Calif. In what has become a closely watched event in the world of high-performance computing, the 23rd edition of the TOP500 list of the world's fastest supercomputers was released today (June 23, 2004) at the International Supercomputer Conference in Heidelberg, Germany.

The computational future for climate and Earth system models: on the path to petaflop and beyond.

PubMed

Washington, Warren M; Buja, Lawrence; Craig, Anthony

2009-03-13

The development of the climate and Earth system models has had a long history, starting with the building of individual atmospheric, ocean, sea ice, land vegetation, biogeochemical, glacial and ecological model components. The early researchers were much aware of the long-term goal of building the Earth system models that would go beyond what is usually included in the climate models by adding interactive biogeochemical interactions. In the early days, the progress was limited by computer capability, as well as by our knowledge of the physical and chemical processes. Over the last few decades, there has been much improved knowledge, better observations for validation and more powerful supercomputer systems that are increasingly meeting the new challenges of comprehensive models. Some of the climate model history will be presented, along with some of the successes and difficulties encountered with present-day supercomputer systems.

Using a Cray Y-MP as an array processor for a RISC Workstation

NASA Technical Reports Server (NTRS)

Lamaster, Hugh; Rogallo, Sarah J.

1992-01-01

As microprocessors increase in power, the economics of centralized computing has changed dramatically. At the beginning of the 1980's, mainframes and super computers were often considered to be cost-effective machines for scalar computing. Today, microprocessor-based RISC (reduced-instruction-set computer) systems have displaced many uses of mainframes and supercomputers. Supercomputers are still cost competitive when processing jobs that require both large memory size and high memory bandwidth. One such application is array processing. Certain numerical operations are appropriate to use in a Remote Procedure Call (RPC)-based environment. Matrix multiplication is an example of an operation that can have a sufficient number of arithmetic operations to amortize the cost of an RPC call. An experiment which demonstrates that matrix multiplication can be executed remotely on a large system to speed the execution over that experienced on a workstation is described.

Diskless supercomputers: Scalable, reliable I/O for the Tera-Op technology base

NASA Technical Reports Server (NTRS)

Katz, Randy H.; Ousterhout, John K.; Patterson, David A.

1993-01-01

Computing is seeing an unprecedented improvement in performance; over the last five years there has been an order-of-magnitude improvement in the speeds of workstation CPU's. At least another order of magnitude seems likely in the next five years, to machines with 500 MIPS or more. The goal of the ARPA Teraop program is to realize even larger, more powerful machines, executing as many as a trillion operations per second. Unfortunately, we have seen no comparable breakthroughs in I/O performance; the speeds of I/O devices and the hardware and software architectures for managing them have not changed substantially in many years. We have completed a program of research to demonstrate hardware and software I/O architectures capable of supporting the kinds of internetworked 'visualization' workstations and supercomputers that will appear in the mid 1990s. The project had three overall goals: high performance, high reliability, and scalable, multipurpose system.

Automotive applications of superconductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ginsberg, M.

1987-01-01

These proceedings compile papers on supercomputers in the automobile industry. Titles include: An automotive engineer's guide to the effective use of scalar, vector, and parallel computers; fluid mechanics, finite elements, and supercomputers; and Automotive crashworthiness performance on a supercomputer.

User's Guide for TOUGH2-MP - A Massively Parallel Version of the TOUGH2 Code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Earth Sciences Division; Zhang, Keni; Zhang, Keni

TOUGH2-MP is a massively parallel (MP) version of the TOUGH2 code, designed for computationally efficient parallel simulation of isothermal and nonisothermal flows of multicomponent, multiphase fluids in one, two, and three-dimensional porous and fractured media. In recent years, computational requirements have become increasingly intensive in large or highly nonlinear problems for applications in areas such as radioactive waste disposal, CO2 geological sequestration, environmental assessment and remediation, reservoir engineering, and groundwater hydrology. The primary objective of developing the parallel-simulation capability is to significantly improve the computational performance of the TOUGH2 family of codes. The particular goal for the parallel simulator ismore » to achieve orders-of-magnitude improvement in computational time for models with ever-increasing complexity. TOUGH2-MP is designed to perform parallel simulation on multi-CPU computational platforms. An earlier version of TOUGH2-MP (V1.0) was based on the TOUGH2 Version 1.4 with EOS3, EOS9, and T2R3D modules, a software previously qualified for applications in the Yucca Mountain project, and was designed for execution on CRAY T3E and IBM SP supercomputers. The current version of TOUGH2-MP (V2.0) includes all fluid property modules of the standard version TOUGH2 V2.0. It provides computationally efficient capabilities using supercomputers, Linux clusters, or multi-core PCs, and also offers many user-friendly features. The parallel simulator inherits all process capabilities from V2.0 together with additional capabilities for handling fractured media from V1.4. This report provides a quick starting guide on how to set up and run the TOUGH2-MP program for users with a basic knowledge of running the (standard) version TOUGH2 code, The report also gives a brief technical description of the code, including a discussion of parallel methodology, code structure, as well as mathematical and numerical methods used. To familiarize users with the parallel code, illustrative sample problems are presented.« less

Purple Computational Environment With Mappings to ACE Requirements for the General Availability User Environment Capabilities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barney, B; Shuler, J

2006-08-21

Purple is an Advanced Simulation and Computing (ASC) funded massively parallel supercomputer located at Lawrence Livermore National Laboratory (LLNL). The Purple Computational Environment documents the capabilities and the environment provided for the FY06 LLNL Level 1 General Availability Milestone. This document describes specific capabilities, tools, and procedures to support both local and remote users. The model is focused on the needs of the ASC user working in the secure computing environments at Los Alamos National Laboratory, Lawrence Livermore National Laboratory, and Sandia National Laboratories, but also documents needs of the LLNL and Alliance users working in the unclassified environment. Additionally,more » the Purple Computational Environment maps the provided capabilities to the Trilab ASC Computing Environment (ACE) Version 8.0 requirements. The ACE requirements reflect the high performance computing requirements for the General Availability user environment capabilities of the ASC community. Appendix A lists these requirements and includes a description of ACE requirements met and those requirements that are not met for each section of this document. The Purple Computing Environment, along with the ACE mappings, has been issued and reviewed throughout the Tri-lab community.« less

Scientific Visualization in High Speed Network Environments

NASA Technical Reports Server (NTRS)

Vaziri, Arsi; Kutler, Paul (Technical Monitor)

1997-01-01

In several cases, new visualization techniques have vastly increased the researcher's ability to analyze and comprehend data. Similarly, the role of networks in providing an efficient supercomputing environment have become more critical and continue to grow at a faster rate than the increase in the processing capabilities of supercomputers. A close relationship between scientific visualization and high-speed networks in providing an important link to support efficient supercomputing is identified. The two technologies are driven by the increasing complexities and volume of supercomputer data. The interaction of scientific visualization and high-speed networks in a Computational Fluid Dynamics simulation/visualization environment are given. Current capabilities supported by high speed networks, supercomputers, and high-performance graphics workstations at the Numerical Aerodynamic Simulation Facility (NAS) at NASA Ames Research Center are described. Applied research in providing a supercomputer visualization environment to support future computational requirements are summarized.

Institute for Sustained Performance, Energy, and Resilience (SuPER)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jagode, Heike; Bosilca, George; Danalis, Anthony

The University of Tennessee (UTK) and University of Texas at El Paso (UTEP) partnership supported the three main thrusts of the SUPER project---performance, energy, and resilience. The UTK-UTEP effort thus helped advance the main goal of SUPER, which was to ensure that DOE's computational scientists can successfully exploit the emerging generation of high performance computing (HPC) systems. This goal is being met by providing application scientists with strategies and tools to productively maximize performance, conserve energy, and attain resilience. The primary vehicle through which UTK provided performance measurement support to SUPER and the larger HPC community is the Performance Applicationmore » Programming Interface (PAPI). PAPI is an ongoing project that provides a consistent interface and methodology for collecting hardware performance information from various hardware and software components, including most major CPUs, GPUs and accelerators, interconnects, I/O systems, and power interfaces, as well as virtual cloud environments. The PAPI software is widely used for performance modeling of scientific and engineering applications---for example, the HOMME (High Order Methods Modeling Environment) climate code, and the GAMESS and NWChem computational chemistry codes---on DOE supercomputers. PAPI is widely deployed as middleware for use by higher-level profiling, tracing, and sampling tools (e.g., CrayPat, HPCToolkit, Scalasca, Score-P, TAU, Vampir, PerfExpert), making it the de facto standard for hardware counter analysis. PAPI has established itself as fundamental software infrastructure in every application domain (spanning academia, government, and industry), where improving performance can be mission critical. Ultimately, as more application scientists migrate their applications to HPC platforms, they will benefit from the extended capabilities this grant brought to PAPI to analyze and optimize performance in these environments, whether they use PAPI directly, or via third-party performance tools. Capabilities added to PAPI through this grant include support for new architectures such as the lastest GPU and Xeon Phi accelerators, and advanced power measurement and management features. Another important topic for the UTK team was providing support for a rich ecosystem of different fault management strategies in the context of parallel computing. Our long term efforts have been oriented toward proposing flexible strategies and providing building boxes that application developers can use to build the most efficient fault management technique for their application. These efforts span across the entire software spectrum, from theoretical models of existing strategies to easily assess their performance, to algorithmic modifications to take advantage of specific mathematical properties for data redundancy and to extensions to widely used programming paradigms to empower the application developers to deal with all types of faults. We have also continued our tight collaborations with users to help them adopt these technologies to ensure their application always deliver meaningful scientific data. Large supercomputer systems are becoming more and more power and energy constrained, and future systems and applications running on them will need to be optimized to run under power caps and/or minimize energy consumption. The UTEP team contributed to the SUPER energy thrust by developing power modeling methodologies and investigating power management strategies. Scalability modeling results showed that some applications can scale better with respect to an increasing power budget than with respect to only the number of processors. Power management, in particular shifting power to processors on the critical path of an application execution, can reduce perturbation due to system noise and other sources of runtime variability, which are growing problems on large-scale power-constrained computer systems.« less

DART: A Community Facility Providing State-of-the-Art, Efficient Ensemble Data Assimilation for Large (Coupled) Geophysical Models

NASA Astrophysics Data System (ADS)

Hoar, T. J.; Anderson, J. L.; Collins, N.; Kershaw, H.; Hendricks, J.; Raeder, K.; Mizzi, A. P.; Barré, J.; Gaubert, B.; Madaus, L. E.; Aydogdu, A.; Raeder, J.; Arango, H.; Moore, A. M.; Edwards, C. A.; Curchitser, E. N.; Escudier, R.; Dussin, R.; Bitz, C. M.; Zhang, Y. F.; Shrestha, P.; Rosolem, R.; Rahman, M.

2016-12-01

Strongly-coupled ensemble data assimilation with multiple high-resolution model components requires massive state vectors which need to be efficiently stored and accessed throughout the assimilation process. Supercomputer architectures are tending towards increasing the number of cores per node but have the same or less memory per node. Recent advances in the Data Assimilation Research Testbed (DART), a freely-available community ensemble data assimilation facility that works with dozens of large geophysical models, have addressed the need to run with a smaller memory footprint on a higher node count by utilizing MPI-2 one-sided communication to do non-blocking asynchronous access of distributed data. DART runs efficiently on many computational platforms ranging from laptops through thousands of cores on the newest supercomputers. Benefits of the new DART implementation will be shown. In addition, overviews of the most recently supported models will be presented: CAM-CHEM, WRF-CHEM, CM1, OpenGGCM, FESOM, ROMS, CICE5, TerrSysMP (COSMO, CLM, ParFlow), JULES, and CABLE. DART provides a comprehensive suite of software, documentation, and tutorials that can be used for ensemble data assimilation research, operations, and education. Scientists and software engineers at NCAR are available to support DART users who want to use existing DART products or develop their own applications. Current DART users range from university professors teaching data assimilation, to individual graduate students working with simple models, through national laboratories and state agencies doing operational prediction with large state-of-the-art models.

The Performance of the NAS HSPs in 1st Half of 1994

NASA Technical Reports Server (NTRS)

Bergeron, Robert J.; Walter, Howard (Technical Monitor)

1995-01-01

During the first six months of 1994, the NAS (National Airspace System) 16-CPU Y-MP C90 Von Neumann (VN) delivered an average throughput of 4.045 GFLOPS while the ACSF (Aeronautics Consolidated Supercomputer Facility) 8-CPU Y-MP C90 Eagle averaged 1.658 GFLOPS. The VN rate represents a machine efficiency of 26.3% whereas the Eagle rate corresponds to a machine efficiency of 21.6%. VN displayed a greater efficiency than Eagle primarily because the stronger workload demand for its CPU cycles allowed it to devote more time to user programs and less time to idle. An additional factor increasing VN efficiency was the ability of the UNICOS 8.0 Operating System to deliver a larger fraction of CPU time to user programs. Although measurements indicate increasing vector length for both workloads, insufficient vector lengths continue to hinder HSP (High Speed Processor) performance. To improve HSP performance, NAS should continue to encourage the HSP users to modify their codes to increase program vector length.

Mentoring the Next Generation of Science Gateway Developers and Users

NASA Astrophysics Data System (ADS)

Hayden, L. B.; Jackson-Ward, F.

2016-12-01

The Science Gateway Institute (SGW-I) for the Democratization and Acceleration of Science was a SI2-SSE Collaborative Research conceptualization award funded by NSF in 2012. From 2012 through 2015, we engaged interested members of the science and engineering community in a planning process for a Science Gateway Community Institute (SGCI). Science Gateways provide Web interfaces to some of the most sophisticated cyberinfrastructure resources. They interact with remotely executing science applications on supercomputers, they connect to remote scientific data collections, instruments and sensor streams, and support large collaborations. Gateways allow scientists to concentrate on the most challenging science problems while underlying components such as computing architectures and interfaces to data collection changes. The goal of our institute was to provide coordinating activities across the National Science Foundation, eventually providing services more broadly to projects funded by other agencies. SGW-I has succeeded in identifying two underrepresented communities of future gateway designers and users. The Association of Computer and Information Science/Engineering Departments at Minority Institutions (ADMI) was identified as a source of future gateway designers. The National Organization for the Professional Advancement of Black Chemists and Chemical Engineers (NOBCChE) was identified as a community of future science gateway users. SGW-I efforts to engage NOBCChE and ADMI faculty and students in SGW-I are now woven into the workforce development component of SGCI. SGCI (ScienceGateways.org ) is a collaboration of six universities, led by San Diego Supercomputer Center. The workforce development component is led by Elizabeth City State University (ECSU). ECSU efforts focus is on: Produce a model of engagement; Integration of research into education; and Mentoring of students while aggressively addressing diversity. This paper documents the outcome of the SGW-I conceptualization project and describes the extensive Workforce Development effort going forward into the 5-year SGCI project recently funded by NSF.

Towards Efficient Supercomputing: Searching for the Right Efficiency Metric

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hsu, Chung-Hsing; Kuehn, Jeffery A; Poole, Stephen W

2012-01-01

The efficiency of supercomputing has traditionally been in the execution time. In early 2000 s, the concept of total cost of ownership was re-introduced, with the introduction of efficiency measure to include aspects such as energy and space. Yet the supercomputing community has never agreed upon a metric that can cover these aspects altogether and also provide a fair basis for comparison. This paper exam- ines the metrics that have been proposed in the past decade, and proposes a vector-valued metric for efficient supercom- puting. Using this metric, the paper presents a study of where the supercomputing industry has beenmore » and how it stands today with respect to efficient supercomputing.« less

Software for Managing Parametric Studies

NASA Technical Reports Server (NTRS)

Yarrow, Maurice; McCann, Karen M.; DeVivo, Adrian

2003-01-01

The Information Power Grid Virtual Laboratory (ILab) is a Practical Extraction and Reporting Language (PERL) graphical-user-interface computer program that generates shell scripts to facilitate parametric studies performed on the Grid. (The Grid denotes a worldwide network of supercomputers used for scientific and engineering computations involving data sets too large to fit on desktop computers.) Heretofore, parametric studies on the Grid have been impeded by the need to create control language scripts and edit input data files painstaking tasks that are necessary for managing multiple jobs on multiple computers. ILab reflects an object-oriented approach to automation of these tasks: All data and operations are organized into packages in order to accelerate development and debugging. A container or document object in ILab, called an experiment, contains all the information (data and file paths) necessary to define a complex series of repeated, sequenced, and/or branching processes. For convenience and to enable reuse, this object is serialized to and from disk storage. At run time, the current ILab experiment is used to generate required input files and shell scripts, create directories, copy data files, and then both initiate and monitor the execution of all computational processes.

Optics Program Modified for Multithreaded Parallel Computing

NASA Technical Reports Server (NTRS)

Lou, John; Bedding, Dave; Basinger, Scott

2006-01-01

A powerful high-performance computer program for simulating and analyzing adaptive and controlled optical systems has been developed by modifying the serial version of the Modeling and Analysis for Controlled Optical Systems (MACOS) program to impart capabilities for multithreaded parallel processing on computing systems ranging from supercomputers down to Symmetric Multiprocessing (SMP) personal computers. The modifications included the incorporation of OpenMP, a portable and widely supported application interface software, that can be used to explicitly add multithreaded parallelism to an application program under a shared-memory programming model. OpenMP was applied to parallelize ray-tracing calculations, one of the major computing components in MACOS. Multithreading is also used in the diffraction propagation of light in MACOS based on pthreads [POSIX Thread, (where "POSIX" signifies a portable operating system for UNIX)]. In tests of the parallelized version of MACOS, the speedup in ray-tracing calculations was found to be linear, or proportional to the number of processors, while the speedup in diffraction calculations ranged from 50 to 60 percent, depending on the type and number of processors. The parallelized version of MACOS is portable, and, to the user, its interface is basically the same as that of the original serial version of MACOS.

Superconductor Digital Electronics: -- Current Status, Future Prospects

NASA Astrophysics Data System (ADS)

Mukhanov, Oleg

2011-03-01

Two major applications of superconductor electronics: communications and supercomputing will be presented. These areas hold a significant promise of a large impact on electronics state-of-the-art for the defense and commercial markets stemming from the fundamental advantages of superconductivity: simultaneous high speed and low power, lossless interconnect, natural quantization, and high sensitivity. The availability of relatively small cryocoolers lowered the foremost market barrier for cryogenically-cooled superconductor electronic systems. These fundamental advantages enabled a novel Digital-RF architecture - a disruptive technological approach changing wireless communications, radar, and surveillance system architectures dramatically. Practical results were achieved for Digital-RF systems in which wide-band, multi-band radio frequency signals are directly digitized and digital domain is expanded throughout the entire system. Digital-RF systems combine digital and mixed signal integrated circuits based on Rapid Single Flux Quantum (RSFQ) technology, superconductor analog filter circuits, and semiconductor post-processing circuits. The demonstrated cryocooled Digital-RF systems are the world's first and fastest directly digitizing receivers operating with live satellite signals, enabling multi-net data links, and performing signal acquisition from HF to L-band with 30 GHz clock frequencies. In supercomputing, superconductivity leads to the highest energy efficiencies per operation. Superconductor technology based on manipulation and ballistic transfer of magnetic flux quanta provides a superior low-power alternative to CMOS and other charge-transfer based device technologies. The fundamental energy consumption in SFQ circuits defined by flux quanta energy 2 x 10-19 J. Recently, a novel energy-efficient zero-static-power SFQ technology, eSFQ/ERSFQ was invented, which retains all advantages of standard RSFQ circuits: high-speed, dc power, internal memory. The voltage bias regulation, determined by SFQ clock, enables the zero-power at zero-activity regimes, indispensable for sensor and quantum bit readout.

Towards high-resolution mantle convection simulations

NASA Astrophysics Data System (ADS)

Höink, T.; Richards, M. A.; Lenardic, A.

2009-12-01

The motion of tectonic plates at the Earth’s surface, earthquakes, most forms of volcanism, the growth and evolution of continents, and the volatile fluxes that govern the composition and evolution of the oceans and atmosphere are all controlled by the process of solid-state thermal convection in the Earth’s rocky mantle, with perhaps a minor contribution from convection in the iron core. Similar processes govern the evolution of other planetary objects such as Mars, Venus, Titan, and Europa, all of which might conceivably shed light on the origin and evolution of life on Earth. Modeling and understanding this complicated dynamical system is one of the true “grand challenges” of Earth and planetary science. In the past three decades much progress towards understanding the dynamics of mantle convection has been made, with the increasing aid of computational modeling. Numerical sophistication has evolved significantly, and a small number of independent codes have been successfully employed. Computational power continues to increase dramatically, and with it the ability to resolve increasingly finer fluid mechanical structures. Yet, the perhaps most often cited limitation in numerical modeling based publications is still the limitation of computing power, because the ability to resolve thermal boundary layers within the convecting mantle (e.g., lithospheric plates), requires a spatial resolution of ~ 10 km. At present, the largest supercomputing facilities still barely approach the power to resolve this length scale in mantle convection simulations that include the physics necessary to model plate-like behavior. Our goal is to use supercomputing facilities to perform 3D spherical mantle convection simulations that include the ingredients for plate-like behavior, i.e. strongly temperature- and stress-dependent viscosity, at Earth-like convective vigor with a global resolution of order 10 km. In order to qualify to use such facilities, it is also necessary to demonstrate good parallel efficiency. Here we will present two kinds of results: (1) scaling properties of the community code CitcomS on DOE/NERSC's supercomputer Franklin for up to ~ 6000 processors, and (2) preliminary simulations that illustrate the role of a low-viscosity asthenosphere in plate-like behavior in mantle convection.

Kernel-based Linux emulation for Plan 9.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Minnich, Ronald G.

2010-09-01

CNKemu is a kernel-based system for the 9k variant of the Plan 9 kernel. It is designed to provide transparent binary support for programs compiled for IBM's Compute Node Kernel (CNK) on the Blue Gene series of supercomputers. This support allows users to build applications with the standard Blue Gene toolchain, including C++ and Fortran compilers. While the CNK is not Linux, IBM designed the CNK so that the user interface has much in common with the Linux 2.0 system call interface. The Plan 9 CNK emulator hence provides the foundation of kernel-based Linux system call support on Plan 9.more » In this paper we discuss cnkemu's implementation and some of its more interesting features, such as the ability to easily intermix Plan 9 and Linux system calls.« less

NASA's supercomputing experience

NASA Technical Reports Server (NTRS)

Bailey, F. Ron

1990-01-01

A brief overview of NASA's recent experience in supercomputing is presented from two perspectives: early systems development and advanced supercomputing applications. NASA's role in supercomputing systems development is illustrated by discussion of activities carried out by the Numerical Aerodynamical Simulation Program. Current capabilities in advanced technology applications are illustrated with examples in turbulence physics, aerodynamics, aerothermodynamics, chemistry, and structural mechanics. Capabilities in science applications are illustrated by examples in astrophysics and atmospheric modeling. Future directions and NASA's new High Performance Computing Program are briefly discussed.

OpenMP Performance on the Columbia Supercomputer

NASA Technical Reports Server (NTRS)

Haoqiang, Jin; Hood, Robert

2005-01-01

This presentation discusses Columbia World Class Supercomputer which is one of the world's fastest supercomputers providing 61 TFLOPs (10/20/04). Conceived, designed, built, and deployed in just 120 days. A 20-node supercomputer built on proven 512-processor nodes. The largest SGI system in the world with over 10,000 Intel Itanium 2 processors and provides the largest node size incorporating commodity parts (512) and the largest shared-memory environment (2048) with 88% efficiency tops the scalar systems on the Top500 list.

Computation Directorate 2008 Annual Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Crawford, D L

2009-03-25

Whether a computer is simulating the aging and performance of a nuclear weapon, the folding of a protein, or the probability of rainfall over a particular mountain range, the necessary calculations can be enormous. Our computers help researchers answer these and other complex problems, and each new generation of system hardware and software widens the realm of possibilities. Building on Livermore's historical excellence and leadership in high-performance computing, Computation added more than 331 trillion floating-point operations per second (teraFLOPS) of power to LLNL's computer room floors in 2008. In addition, Livermore's next big supercomputer, Sequoia, advanced ever closer to itsmore » 2011-2012 delivery date, as architecture plans and the procurement contract were finalized. Hyperion, an advanced technology cluster test bed that teams Livermore with 10 industry leaders, made a big splash when it was announced during Michael Dell's keynote speech at the 2008 Supercomputing Conference. The Wall Street Journal touted Hyperion as a 'bright spot amid turmoil' in the computer industry. Computation continues to measure and improve the costs of operating LLNL's high-performance computing systems by moving hardware support in-house, by measuring causes of outages to apply resources asymmetrically, and by automating most of the account and access authorization and management processes. These improvements enable more dollars to go toward fielding the best supercomputers for science, while operating them at less cost and greater responsiveness to the customers.« less

Combining density functional theory calculations, supercomputing, and data-driven methods to design new materials (Conference Presentation)

NASA Astrophysics Data System (ADS)

Jain, Anubhav

2017-04-01

Density functional theory (DFT) simulations solve for the electronic structure of materials starting from the Schrödinger equation. Many case studies have now demonstrated that researchers can often use DFT to design new compounds in the computer (e.g., for batteries, catalysts, and hydrogen storage) before synthesis and characterization in the lab. In this talk, I will focus on how DFT calculations can be executed on large supercomputing resources in order to generate very large data sets on new materials for functional applications. First, I will briefly describe the Materials Project, an effort at LBNL that has virtually characterized over 60,000 materials using DFT and has shared the results with over 17,000 registered users. Next, I will talk about how such data can help discover new materials, describing how preliminary computational screening led to the identification and confirmation of a new family of bulk AMX2 thermoelectric compounds with measured zT reaching 0.8. I will outline future plans for how such data-driven methods can be used to better understand the factors that control thermoelectric behavior, e.g., for the rational design of electronic band structures, in ways that are different from conventional approaches.

User's and test case manual for FEMATS

NASA Technical Reports Server (NTRS)

Chatterjee, Arindam; Volakis, John; Nurnberger, Mike; Natzke, John

1995-01-01

The FEMATS program incorporates first-order edge-based finite elements and vector absorbing boundary conditions into the scattered field formulation for computation of the scattering from three-dimensional geometries. The code has been validated extensively for a large class of geometries containing inhomogeneities and satisfying transition conditions. For geometries that are too large for the workstation environment, the FEMATS code has been optimized to run on various supercomputers. Currently, FEMATS has been configured to run on the HP 9000 workstation, vectorized for the Cray Y-MP, and parallelized to run on the Kendall Square Research (KSR) architecture and the Intel Paragon.

User Driven Image Stacking for ODI Data and Beyond via a Highly Customizable Web Interface

NASA Astrophysics Data System (ADS)

Hayashi, S.; Gopu, A.; Young, M. D.; Kotulla, R.

2015-09-01

While some astronomical archives have begun serving standard calibrated data products, the process of producing stacked images remains a challenge left to the end-user. The benefits of astronomical image stacking are well established, and dither patterns are recommended for almost all observing targets. Some archives automatically produce stacks of limited scientific usefulness without any fine-grained user or operator configurability. In this paper, we present PPA Stack, a web based stacking framework within the ODI - Portal, Pipeline, and Archive system. PPA Stack offers a web user interface with built-in heuristics (based on pointing, filter, and other metadata information) to pre-sort images into a set of likely stacks while still allowing the user or operator complete control over the images and parameters for each of the stacks they wish to produce. The user interface, designed using AngularJS, provides multiple views of the input dataset and parameters, all of which are synchronized in real time. A backend consisting of a Python application optimized for ODI data, wrapped around the SWarp software, handles the execution of stacking workflow jobs on Indiana University's Big Red II supercomputer, and the subsequent ingestion of the combined images back into the PPA archive. PPA Stack is designed to enable seamless integration of other stacking applications in the future, so users can select the most appropriate option for their science.

Supercomputer networking for space science applications

NASA Technical Reports Server (NTRS)

Edelson, B. I.

1992-01-01

The initial design of a supercomputer network topology including the design of the communications nodes along with the communications interface hardware and software is covered. Several space science applications that are proposed experiments by GSFC and JPL for a supercomputer network using the NASA ACTS satellite are also reported.

Most Social Scientists Shun Free Use of Supercomputers.

ERIC Educational Resources Information Center

Kiernan, Vincent

1998-01-01

Social scientists, who frequently complain that the federal government spends too little on them, are passing up what scholars in the physical and natural sciences see as the government's best give-aways: free access to supercomputers. Some social scientists say the supercomputers are difficult to use; others find desktop computers provide…

A fault tolerant spacecraft supercomputer to enable a new class of scientific discovery

NASA Technical Reports Server (NTRS)

Katz, D. S.; McVittie, T. I.; Silliman, A. G., Jr.

2000-01-01

The goal of the Remote Exploration and Experimentation (REE) Project is to move supercomputeing into space in a coste effective manner and to allow the use of inexpensive, state of the art, commercial-off-the-shelf components and subsystems in these space-based supercomputers.

TOP500 Supercomputers for November 2003

DOE Office of Scientific and Technical Information (OSTI.GOV)

Strohmaier, Erich; Meuer, Hans W.; Dongarra, Jack

2003-11-16

22nd Edition of TOP500 List of World s Fastest Supercomputers Released MANNHEIM, Germany; KNOXVILLE, Tenn.; BERKELEY, Calif. In what has become a much-anticipated event in the world of high-performance computing, the 22nd edition of the TOP500 list of the worlds fastest supercomputers was released today (November 16, 2003). The Earth Simulator supercomputer retains the number one position with its Linpack benchmark performance of 35.86 Tflop/s (''teraflops'' or trillions of calculations per second). It was built by NEC and installed last year at the Earth Simulator Center in Yokohama, Japan.

Homemade Buckeye-Pi: A Learning Many-Node Platform for High-Performance Parallel Computing

NASA Astrophysics Data System (ADS)

Amooie, M. A.; Moortgat, J.

2017-12-01

We report on the "Buckeye-Pi" cluster, the supercomputer developed in The Ohio State University School of Earth Sciences from 128 inexpensive Raspberry Pi (RPi) 3 Model B single-board computers. Each RPi is equipped with fast Quad Core 1.2GHz ARMv8 64bit processor, 1GB of RAM, and 32GB microSD card for local storage. Therefore, the cluster has a total RAM of 128GB that is distributed on the individual nodes and a flash capacity of 4TB with 512 processors, while it benefits from low power consumption, easy portability, and low total cost. The cluster uses the Message Passing Interface protocol to manage the communications between each node. These features render our platform the most powerful RPi supercomputer to date and suitable for educational applications in high-performance-computing (HPC) and handling of large datasets. In particular, we use the Buckeye-Pi to implement optimized parallel codes in our in-house simulator for subsurface media flows with the goal of achieving a massively-parallelized scalable code. We present benchmarking results for the computational performance across various number of RPi nodes. We believe our project could inspire scientists and students to consider the proposed unconventional cluster architecture as a mainstream and a feasible learning platform for challenging engineering and scientific problems.

HEP Computing Tools, Grid and Supercomputers for Genome Sequencing Studies

NASA Astrophysics Data System (ADS)

De, K.; Klimentov, A.; Maeno, T.; Mashinistov, R.; Novikov, A.; Poyda, A.; Tertychnyy, I.; Wenaus, T.

2017-10-01

PanDA - Production and Distributed Analysis Workload Management System has been developed to address ATLAS experiment at LHC data processing and analysis challenges. Recently PanDA has been extended to run HEP scientific applications on Leadership Class Facilities and supercomputers. The success of the projects to use PanDA beyond HEP and Grid has drawn attention from other compute intensive sciences such as bioinformatics. Recent advances of Next Generation Genome Sequencing (NGS) technology led to increasing streams of sequencing data that need to be processed, analysed and made available for bioinformaticians worldwide. Analysis of genomes sequencing data using popular software pipeline PALEOMIX can take a month even running it on the powerful computer resource. In this paper we will describe the adaptation the PALEOMIX pipeline to run it on a distributed computing environment powered by PanDA. To run pipeline we split input files into chunks which are run separately on different nodes as separate inputs for PALEOMIX and finally merge output file, it is very similar to what it done by ATLAS to process and to simulate data. We dramatically decreased the total walltime because of jobs (re)submission automation and brokering within PanDA. Using software tools developed initially for HEP and Grid can reduce payload execution time for Mammoths DNA samples from weeks to days.

Grid-based HPC astrophysical applications at INAF Catania.

NASA Astrophysics Data System (ADS)

Costa, A.; Calanducci, A.; Becciani, U.; Capuzzo Dolcetta, R.

The research activity on grid area at INAF Catania has been devoted to two main goals: the integration of a multiprocessor supercomputer (IBM SP4) within INFN-GRID middleware and the developing of a web-portal, Astrocomp-G, for the submission of astrophysical jobs into the grid infrastructure. Most of the actual grid implementation infrastructure is based on common hardware, i.e. i386 architecture machines (Intel Celeron, Pentium III, IV, Amd Duron, Athlon) using Linux RedHat OS. We were the first institute to integrate a totally different machine, an IBM SP with RISC architecture and AIX OS, as a powerful Worker Node inside a grid infrastructure. We identified and ported to AIX OS the grid components dealing with job monitoring and execution and properly tuned the Computing Element to delivery jobs into this special Worker Node. For testing purpose we used MARA, an astrophysical application for the analysis of light curve sequences. Astrocomp-G is a user-friendly front end to our grid site. Users who want to submit the astrophysical applications already available in the portal need to own a valid personal X509 certificate in addiction to a username and password released by the grid portal web master. The personal X509 certificate is a prerequisite for the creation of a short or long-term proxy certificate that allows the grid infrastructure services to identify clearly whether the owner of the job has the permissions to use resources and data. X509 and proxy certificates are part of GSI (Grid Security Infrastructure), a standard security tool adopted by all major grid sites around the world.

Demonstration of Cost-Effective, High-Performance Computing at Performance and Reliability Levels Equivalent to a 1994 Vector Supercomputer

NASA Technical Reports Server (NTRS)

Babrauckas, Theresa

2000-01-01

The Affordable High Performance Computing (AHPC) project demonstrated that high-performance computing based on a distributed network of computer workstations is a cost-effective alternative to vector supercomputers for running CPU and memory intensive design and analysis tools. The AHPC project created an integrated system called a Network Supercomputer. By connecting computer work-stations through a network and utilizing the workstations when they are idle, the resulting distributed-workstation environment has the same performance and reliability levels as the Cray C90 vector Supercomputer at less than 25 percent of the C90 cost. In fact, the cost comparison between a Cray C90 Supercomputer and Sun workstations showed that the number of distributed networked workstations equivalent to a C90 costs approximately 8 percent of the C90.

Full speed ahead for software

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wolfe, A.

1986-03-10

Supercomputing software is moving into high gear, spurred by the rapid spread of supercomputers into new applications. The critical challenge is how to develop tools that will make it easier for programmers to write applications that take advantage of vectorizing in the classical supercomputer and the parallelism that is emerging in supercomputers and minisupercomputers. Writing parallel software is a challenge that every programmer must face because parallel architectures are springing up across the range of computing. Cray is developing a host of tools for programmers. Tools to support multitasking (in supercomputer parlance, multitasking means dividing up a single program tomore » run on multiple processors) are high on Cray's agenda. On tap for multitasking is Premult, dubbed a microtasking tool. As a preprocessor for Cray's CFT77 FORTRAN compiler, Premult will provide fine-grain multitasking.« less

Knowledge Acquisition and Management for the NASA Earth Exchange (NEX)

NASA Astrophysics Data System (ADS)

Votava, P.; Michaelis, A.; Nemani, R. R.

2013-12-01

NASA Earth Exchange (NEX) is a data, computing and knowledge collaboratory that houses NASA satellite, climate and ancillary data where a focused community can come together to share modeling and analysis codes, scientific results, knowledge and expertise on a centralized platform with access to large supercomputing resources. As more and more projects are being executed on NEX, we are increasingly focusing on capturing the knowledge of the NEX users and provide mechanisms for sharing it with the community in order to facilitate reuse and accelerate research. There are many possible knowledge contributions to NEX, it can be a wiki entry on the NEX portal contributed by a developer, information extracted from a publication in an automated way, or a workflow captured during code execution on the supercomputing platform. The goal of the NEX knowledge platform is to capture and organize this information and make it easily accessible to the NEX community and beyond. The knowledge acquisition process consists of three main faucets - data and metadata, workflows and processes, and web-based information. Once the knowledge is acquired, it is processed in a number of ways ranging from custom metadata parsers to entity extraction using natural language processing techniques. The processed information is linked with existing taxonomies and aligned with internal ontology (which heavily reuses number of external ontologies). This forms a knowledge graph that can then be used to improve users' search query results as well as provide additional analytics capabilities to the NEX system. Such a knowledge graph will be an important building block in creating a dynamic knowledge base for the NEX community where knowledge is both generated and easily shared.

Site in a box: Improving the Tier 3 experience

NASA Astrophysics Data System (ADS)

Dost, J. M.; Fajardo, E. M.; Jones, T. R.; Martin, T.; Tadel, A.; Tadel, M.; Würthwein, F.

2017-10-01

The Pacific Research Platform is an initiative to interconnect Science DMZs between campuses across the West Coast of the United States over a 100 gbps network. The LHC @ UC is a proof of concept pilot project that focuses on interconnecting 6 University of California campuses. It is spearheaded by computing specialists from the UCSD Tier 2 Center in collaboration with the San Diego Supercomputer Center. A machine has been shipped to each campus extending the concept of the Data Transfer Node to a cluster in a box that is fully integrated into the local compute, storage, and networking infrastructure. The node contains a full HTCondor batch system, and also an XRootD proxy cache. User jobs routed to the DTN can run on 40 additional slots provided by the machine, and can also flock to a common GlideinWMS pilot pool, which sends jobs out to any of the participating UCs, as well as to Comet, the new supercomputer at SDSC. In addition, a common XRootD federation has been created to interconnect the UCs and give the ability to arbitrarily export data from the home university, to make it available wherever the jobs run. The UC level federation also statically redirects to either the ATLAS FAX or CMS AAA federation respectively to make globally published datasets available, depending on end user VO membership credentials. XRootD read operations from the federation transfer through the nearest DTN proxy cache located at the site where the jobs run. This reduces wide area network overhead for subsequent accesses, and improves overall read performance. Details on the technical implementation, challenges faced and overcome in setting up the infrastructure, and an analysis of usage patterns and system scalability will be presented.

NASA's Climate in a Box: Desktop Supercomputing for Open Scientific Model Development

NASA Astrophysics Data System (ADS)

Wojcik, G. S.; Seablom, M. S.; Lee, T. J.; McConaughy, G. R.; Syed, R.; Oloso, A.; Kemp, E. M.; Greenseid, J.; Smith, R.

2009-12-01

NASA's High Performance Computing Portfolio in cooperation with its Modeling, Analysis, and Prediction program intends to make its climate and earth science models more accessible to a larger community. A key goal of this effort is to open the model development and validation process to the scientific community at large such that a natural selection process is enabled and results in a more efficient scientific process. One obstacle to others using NASA models is the complexity of the models and the difficulty in learning how to use them. This situation applies not only to scientists who regularly use these models but also non-typical users who may want to use the models such as scientists from different domains, policy makers, and teachers. Another obstacle to the use of these models is that access to high performance computing (HPC) accounts, from which the models are implemented, can be restrictive with long wait times in job queues and delays caused by an arduous process of obtaining an account, especially for foreign nationals. This project explores the utility of using desktop supercomputers in providing a complete ready-to-use toolkit of climate research products to investigators and on demand access to an HPC system. One objective of this work is to pre-package NASA and NOAA models so that new users will not have to spend significant time porting the models. In addition, the prepackaged toolkit will include tools, such as workflow, visualization, social networking web sites, and analysis tools, to assist users in running the models and analyzing the data. The system architecture to be developed will allow for automatic code updates for each user and an effective means with which to deal with data that are generated. We plan to investigate several desktop systems, but our work to date has focused on a Cray CX1. Currently, we are investigating the potential capabilities of several non-traditional development environments. While most NASA and NOAA models are designed for Linux operating systems (OS), the arrival of the WindowsHPC 2008 OS provides the opportunity to evaluate the use of a new platform on which to develop and port climate and earth science models. In particular, we are evaluating Microsoft's Visual Studio Integrated Developer Environment to determine its appropriateness for the climate modeling community. In the initial phases of this project, we have ported GEOS-5, WRF, GISS ModelE, and GFS to Linux on a CX1 and are in the process of porting WRF and ModelE to WindowsHPC 2008. Initial tests on the CX1 Linux OS indicate favorable comparisons in terms of performance and consistency of scientific results when compared with experiments executed on NASA high end systems. As in the past, NASA's large clusters will continue to be an important part of our objectives. We envision a seamless environment in which an investigator performs model development and testing on a desktop system and can seamlessly transfer execution to supercomputer clusters for production.

Parallelization of the Coupled Earthquake Model

NASA Technical Reports Server (NTRS)

Block, Gary; Li, P. Peggy; Song, Yuhe T.

2007-01-01

This Web-based tsunami simulation system allows users to remotely run a model on JPL s supercomputers for a given undersea earthquake. At the time of this reporting, predicting tsunamis on the Internet has never happened before. This new code directly couples the earthquake model and the ocean model on parallel computers and improves simulation speed. Seismometers can only detect information from earthquakes; they cannot detect whether or not a tsunami may occur as a result of the earthquake. When earthquake-tsunami models are coupled with the improved computational speed of modern, high-performance computers and constrained by remotely sensed data, they are able to provide early warnings for those coastal regions at risk. The software is capable of testing NASA s satellite observations of tsunamis. It has been successfully tested for several historical tsunamis, has passed all alpha and beta testing, and is well documented for users.

DelPhi web server v2: incorporating atomic-style geometrical figures into the computational protocol.

PubMed

Smith, Nicholas; Witham, Shawn; Sarkar, Subhra; Zhang, Jie; Li, Lin; Li, Chuan; Alexov, Emil

2012-06-15

A new edition of the DelPhi web server, DelPhi web server v2, is released to include atomic presentation of geometrical figures. These geometrical objects can be used to model nano-size objects together with real biological macromolecules. The position and size of the object can be manipulated by the user in real time until desired results are achieved. The server fixes structural defects, adds hydrogen atoms and calculates electrostatic energies and the corresponding electrostatic potential and ionic distributions. The web server follows a client-server architecture built on PHP and HTML and utilizes DelPhi software. The computation is carried out on supercomputer cluster and results are given back to the user via http protocol, including the ability to visualize the structure and corresponding electrostatic potential via Jmol implementation. The DelPhi web server is available from http://compbio.clemson.edu/delphi_webserver.

Non-preconditioned conjugate gradient on cell and FPGA based hybrid supercomputer nodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dubois, David H; Dubois, Andrew J; Boorman, Thomas M

2009-01-01

This work presents a detailed implementation of a double precision, non-preconditioned, Conjugate Gradient algorithm on a Roadrunner heterogeneous supercomputer node. These nodes utilize the Cell Broadband Engine Architecture{sup TM} in conjunction with x86 Opteron{sup TM} processors from AMD. We implement a common Conjugate Gradient algorithm, on a variety of systems, to compare and contrast performance. Implementation results are presented for the Roadrunner hybrid supercomputer, SRC Computers, Inc. MAPStation SRC-6 FPGA enhanced hybrid supercomputer, and AMD Opteron only. In all hybrid implementations wall clock time is measured, including all transfer overhead and compute timings.

Non-preconditioned conjugate gradient on cell and FPCA-based hybrid supercomputer nodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dubois, David H; Dubois, Andrew J; Boorman, Thomas M

2009-03-10

This work presents a detailed implementation of a double precision, Non-Preconditioned, Conjugate Gradient algorithm on a Roadrunner heterogeneous supercomputer node. These nodes utilize the Cell Broadband Engine Architecture{trademark} in conjunction with x86 Opteron{trademark} processors from AMD. We implement a common Conjugate Gradient algorithm, on a variety of systems, to compare and contrast performance. Implementation results are presented for the Roadrunner hybrid supercomputer, SRC Computers, Inc. MAPStation SRC-6 FPGA enhanced hybrid supercomputer, and AMD Opteron only. In all hybrid implementations wall clock time is measured, including all transfer overhead and compute timings.

Madden–Julian Oscillation prediction skill of a new-generation global model demonstrated using a supercomputer

PubMed Central

Miyakawa, Tomoki; Satoh, Masaki; Miura, Hiroaki; Tomita, Hirofumi; Yashiro, Hisashi; Noda, Akira T.; Yamada, Yohei; Kodama, Chihiro; Kimoto, Masahide; Yoneyama, Kunio

2014-01-01

Global cloud/cloud system-resolving models are perceived to perform well in the prediction of the Madden–Julian Oscillation (MJO), a huge eastward -propagating atmospheric pulse that dominates intraseasonal variation of the tropics and affects the entire globe. However, owing to model complexity, detailed analysis is limited by computational power. Here we carry out a simulation series using a recently developed supercomputer, which enables the statistical evaluation of the MJO prediction skill of a costly new-generation model in a manner similar to operational forecast models. We estimate the current MJO predictability of the model as 27 days by conducting simulations including all winter MJO cases identified during 2003–2012. The simulated precipitation patterns associated with different MJO phases compare well with observations. An MJO case captured in a recent intensive observation is also well reproduced. Our results reveal that the global cloud-resolving approach is effective in understanding the MJO and in providing month-long tropical forecasts. PMID:24801254

Supercomputer description of human lung morphology for imaging analysis.

PubMed

Martonen, T B; Hwang, D; Guan, X; Fleming, J S

1998-04-01

A supercomputer code that describes the three-dimensional branching structure of the human lung has been developed. The algorithm was written for the Cray C94. In our simulations, the human lung was divided into a matrix containing discrete volumes (voxels) so as to be compatible with analyses of SPECT images. The matrix has 3840 voxels. The matrix can be segmented into transverse, sagittal and coronal layers analogous to human subject examinations. The compositions of individual voxels were identified by the type and respective number of airways present. The code provides a mapping of the spatial positions of the almost 17 million airways in human lungs and unambiguously assigns each airway to a voxel. Thus, the clinician and research scientist in the medical arena have a powerful new tool to be used in imaging analyses. The code was designed to be integrated into diverse applications, including the interpretation of SPECT images, the design of inhalation exposure experiments and the targeted delivery of inhaled pharmacologic drugs.

The 0.125 degree finite-volume General Circulation Model on the NASA Columbia Supercomputer: Preliminary Simulations of Mesoscale Vortices

NASA Technical Reports Server (NTRS)

Shen, B.-W.; Atlas, R.; Chern, J.-D.; Reale, O.; Lin, S.-J.; Lee, T.; Chang, J.

2005-01-01

The NASA Columbia supercomputer was ranked second on the TOP500 List in November, 2004. Such a quantum jump in computing power provides unprecedented opportunities to conduct ultra-high resolution simulations with the finite-volume General Circulation Model (fvGCM). During 2004, the model was run in realtime experimentally at 0.25 degree resolution producing remarkable hurricane forecasts [Atlas et al., 2005]. In 2005, the horizontal resolution was further doubled, which makes the fvGCM comparable to the first mesoscale resolving General Circulation Model at the Earth Simulator Center [Ohfuchi et al., 2004]. Nine 5-day 0.125 degree simulations of three hurricanes in 2004 are presented first for model validation. Then it is shown how the model can simulate the formation of the Catalina eddies and Hawaiian lee vortices, which are generated by the interaction of the synoptic-scale flow with surface forcing, and have never been reproduced in a GCM before.)

Near-surface coherent structures explored by large eddy simulation of entire tropical cyclones.

PubMed

Ito, Junshi; Oizumi, Tsutao; Niino, Hiroshi

2017-06-19

Taking advantage of the huge computational power of a massive parallel supercomputer (K-supercomputer), this study conducts large eddy simulations of entire tropical cyclones by employing a numerical weather prediction model, and explores near-surface coherent structures. The maximum of the near-surface wind changes little from that simulated based on coarse-resolution runs. Three kinds of coherent structures appeared inside the boundary layer. The first is a Type-A roll, which is caused by an inflection-point instability of the radial flow and prevails outside the radius of maximum wind. The second is a Type-B roll that also appears to be caused by an inflection-point instability but of both radial and tangential winds. Its roll axis is almost orthogonal to the Type-A roll. The third is a Type-C roll, which occurs inside the radius of maximum wind and only near the surface. It transports horizontal momentum in an up-gradient sense and causes the largest gusts.

Madden-Julian Oscillation prediction skill of a new-generation global model demonstrated using a supercomputer.

PubMed

Miyakawa, Tomoki; Satoh, Masaki; Miura, Hiroaki; Tomita, Hirofumi; Yashiro, Hisashi; Noda, Akira T; Yamada, Yohei; Kodama, Chihiro; Kimoto, Masahide; Yoneyama, Kunio

2014-05-06

Global cloud/cloud system-resolving models are perceived to perform well in the prediction of the Madden-Julian Oscillation (MJO), a huge eastward -propagating atmospheric pulse that dominates intraseasonal variation of the tropics and affects the entire globe. However, owing to model complexity, detailed analysis is limited by computational power. Here we carry out a simulation series using a recently developed supercomputer, which enables the statistical evaluation of the MJO prediction skill of a costly new-generation model in a manner similar to operational forecast models. We estimate the current MJO predictability of the model as 27 days by conducting simulations including all winter MJO cases identified during 2003-2012. The simulated precipitation patterns associated with different MJO phases compare well with observations. An MJO case captured in a recent intensive observation is also well reproduced. Our results reveal that the global cloud-resolving approach is effective in understanding the MJO and in providing month-long tropical forecasts.

Using NCAR Yellowstone for PhotoVoltaic Power Forecasts with Artificial Neural Networks and an Analog Ensemble

NASA Astrophysics Data System (ADS)

Cervone, G.; Clemente-Harding, L.; Alessandrini, S.; Delle Monache, L.

2016-12-01

A methodology based on Artificial Neural Networks (ANN) and an Analog Ensemble (AnEn) is presented to generate 72-hour deterministic and probabilistic forecasts of power generated by photovoltaic (PV) power plants using input from a numerical weather prediction model and computed astronomical variables. ANN and AnEn are used individually and in combination to generate forecasts for three solar power plant located in Italy. The computational scalability of the proposed solution is tested using synthetic data simulating 4,450 PV power stations. The NCAR Yellowstone supercomputer is employed to test the parallel implementation of the proposed solution, ranging from 1 node (32 cores) to 4,450 nodes (141,140 cores). Results show that a combined AnEn + ANN solution yields best results, and that the proposed solution is well suited for massive scale computation.

High-Performance Computing: Industry Uses of Supercomputers and High-Speed Networks. Report to Congressional Requesters.

ERIC Educational Resources Information Center

General Accounting Office, Washington, DC. Information Management and Technology Div.

This report was prepared in response to a request for information on supercomputers and high-speed networks from the Senate Committee on Commerce, Science, and Transportation, and the House Committee on Science, Space, and Technology. The following information was requested: (1) examples of how various industries are using supercomputers to…

Supercomputer Provides Molecular Insight into Cellulose (Fact Sheet)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

2011-02-01

Groundbreaking research at the National Renewable Energy Laboratory (NREL) has used supercomputing simulations to calculate the work that enzymes must do to deconstruct cellulose, which is a fundamental step in biomass conversion technologies for biofuels production. NREL used the new high-performance supercomputer Red Mesa to conduct several million central processing unit (CPU) hours of simulation.

Virtualizing Super-Computation On-Board Uas

NASA Astrophysics Data System (ADS)

Salami, E.; Soler, J. A.; Cuadrado, R.; Barrado, C.; Pastor, E.

2015-04-01

Unmanned aerial systems (UAS, also known as UAV, RPAS or drones) have a great potential to support a wide variety of aerial remote sensing applications. Most UAS work by acquiring data using on-board sensors for later post-processing. Some require the data gathered to be downlinked to the ground in real-time. However, depending on the volume of data and the cost of the communications, this later option is not sustainable in the long term. This paper develops the concept of virtualizing super-computation on-board UAS, as a method to ease the operation by facilitating the downlink of high-level information products instead of raw data. Exploiting recent developments in miniaturized multi-core devices is the way to speed-up on-board computation. This hardware shall satisfy size, power and weight constraints. Several technologies are appearing with promising results for high performance computing on unmanned platforms, such as the 36 cores of the TILE-Gx36 by Tilera (now EZchip) or the 64 cores of the Epiphany-IV by Adapteva. The strategy for virtualizing super-computation on-board includes the benchmarking for hardware selection, the software architecture and the communications aware design. A parallelization strategy is given for the 36-core TILE-Gx36 for a UAS in a fire mission or in similar target-detection applications. The results are obtained for payload image processing algorithms and determine in real-time the data snapshot to gather and transfer to ground according to the needs of the mission, the processing time, and consumed watts.

European Science Notes Information Bulletin Reports on Current European/ Middle Eastern Science

DTIC Science & Technology

1988-08-01

problems, and infrastructure and in- terfacing requirements. Development of Finite Element Software for Transputer-Based Parallel Processors ...Introduction will it be possible to harness these processors together to work on a common problem. The feasibility study at the UK’s Kent University for One of...the many problems in harnessing the power development of a distributed supercomputer is being of a large number of processors on a single problem is

Using Transverse Optical Patterns for Ultra-Low-Light All-Optical Switching

DTIC Science & Technology

2008-01-01

handling devices from cellular telephones to supercomputers. The de - velopment of the internet (world-wide-web) was enabled by personal computers and...increase in response time for de - creasing power that is qualitatively similar to experimental observations. To facilitate comparison to Fig. 5.8(a...wells and of the entire ring correspond to the preference of the system to emit light in a hexagonal pattern. To de - scribe the pattern orientation using

A Pipeline for Large Data Processing Using Regular Sampling for Unstructured Grids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berres, Anne Sabine; Adhinarayanan, Vignesh; Turton, Terece

2017-05-12

Large simulation data requires a lot of time and computational resources to compute, store, analyze, visualize, and run user studies. Today, the largest cost of a supercomputer is not hardware but maintenance, in particular energy consumption. Our goal is to balance energy consumption and cognitive value of visualizations of resulting data. This requires us to go through the entire processing pipeline, from simulation to user studies. To reduce the amount of resources, data can be sampled or compressed. While this adds more computation time, the computational overhead is negligible compared to the simulation time. We built a processing pipeline atmore » the example of regular sampling. The reasons for this choice are two-fold: using a simple example reduces unnecessary complexity as we know what to expect from the results. Furthermore, it provides a good baseline for future, more elaborate sampling methods. We measured time and energy for each test we did, and we conducted user studies in Amazon Mechanical Turk (AMT) for a range of different results we produced through sampling.« less

Input/output behavior of supercomputing applications

NASA Technical Reports Server (NTRS)

Miller, Ethan L.

1991-01-01

The collection and analysis of supercomputer I/O traces and their use in a collection of buffering and caching simulations are described. This serves two purposes. First, it gives a model of how individual applications running on supercomputers request file system I/O, allowing system designer to optimize I/O hardware and file system algorithms to that model. Second, the buffering simulations show what resources are needed to maximize the CPU utilization of a supercomputer given a very bursty I/O request rate. By using read-ahead and write-behind in a large solid stated disk, one or two applications were sufficient to fully utilize a Cray Y-MP CPU.

SCAMP and the ASP

NASA Astrophysics Data System (ADS)

Idehara, H.; Carbon, D. F.

2004-12-01

We present two new, publicly available tools to support the examination and interpretation of spectra. SCAMP is a specialized graphical user interface for MATLAB. It allows researchers to rapidly intercompare sets of observational, theoretical, and/or laboratory spectra. Users have extensive control over the colors and placement of individual spectra, and over spectrum normalization from one spectral region to another. Spectra can be interactively assigned to user-defined groups and the groupings recalled at a later time. The user can measure/record positions and intensities of spectral features, interactively spline-fit spectra, and normalize spectra by fitted splines. User-defined wavelengths can be automatically highlighted in SCAMP plots. The user can save/print annotated graphical output suitable for a scientific notebook depicting the work at any point. The ASP is a WWW portal that provides interactive access to two spectrum data sets: a library of synthetic stellar spectra and a library of laboratory PAH spectra. The synthetic stellar spectra in the ASP are appropriate to the giant branch with an assortment of compositions. Each spectrum spans the full range from 2 to 600 microns at a variety of resolutions. The ASP is designed to allow users to quickly identify individual features at any resolution that arise from any of the included isotopic species. The user may also retrieve the depth of formation of individual features at any resolution. PAH spectra accessible through the ASP are drawn from the extensive library of spectra measured by the NASA Ames Astrochemistry Laboratory. The user may interactively choose any subset of PAHs in the data set, combine them with user-defined weights and temperatures, and view/download the resultant spectrum at any user-defined resolution. This work was funded by the NASA Advanced Supercomputing Division, NASA Ames Research Center.

Optimisation of a parallel ocean general circulation model

NASA Astrophysics Data System (ADS)

Beare, M. I.; Stevens, D. P.

1997-10-01

This paper presents the development of a general-purpose parallel ocean circulation model, for use on a wide range of computer platforms, from traditional scalar machines to workstation clusters and massively parallel processors. Parallelism is provided, as a modular option, via high-level message-passing routines, thus hiding the technical intricacies from the user. An initial implementation highlights that the parallel efficiency of the model is adversely affected by a number of factors, for which optimisations are discussed and implemented. The resulting ocean code is portable and, in particular, allows science to be achieved on local workstations that could otherwise only be undertaken on state-of-the-art supercomputers.

A CPU benchmark for protein crystallographic refinement.

PubMed

Bourne, P E; Hendrickson, W A

1990-01-01

The CPU time required to complete a cycle of restrained least-squares refinement of a protein structure from X-ray crystallographic data using the FORTRAN codes PROTIN and PROLSQ are reported for 48 different processors, ranging from single-user workstations to supercomputers. Sequential, vector, VLIW, multiprocessor, and RISC hardware architectures are compared using both a small and a large protein structure. Representative compile times for each hardware type are also given, and the improvement in run-time when coding for a specific hardware architecture considered. The benchmarks involve scalar integer and vector floating point arithmetic and are representative of the calculations performed in many scientific disciplines.

Requirements for migration of NSSD code systems from LTSS to NLTSS

NASA Technical Reports Server (NTRS)

Pratt, M.

1984-01-01

The purpose of this document is to address the requirements necessary for a successful conversion of the Nuclear Design (ND) application code systems to the NLTSS environment. The ND application code system community can be characterized as large-scale scientific computation carried out on supercomputers. NLTSS is a distributed operating system being developed at LLNL to replace the LTSS system currently in use. The implications of change are examined including a description of the computational environment and users in ND. The discussion then turns to requirements, first in a general way, followed by specific requirements, including a proposal for managing the transition.

Prospects for Boiling of Subcooled Dielectric Liquids for Supercomputer Cooling

NASA Astrophysics Data System (ADS)

Zeigarnik, Yu. A.; Vasil'ev, N. V.; Druzhinin, E. A.; Kalmykov, I. V.; Kosoi, A. S.; Khodakov, K. A.

2018-02-01

It is shown experimentally that using forced-convection boiling of dielectric coolants of the Novec 649 Refrigerant subcooled relative to the saturation temperature makes possible removing heat flow rates up to 100 W/cm2 from modern supercomputer chip interface. This fact creates prerequisites for the application of dielectric liquids in cooling systems of modern supercomputers with increased requirements for their operating reliability.

Multi-threaded ATLAS simulation on Intel Knights Landing processors

NASA Astrophysics Data System (ADS)

Farrell, Steven; Calafiura, Paolo; Leggett, Charles; Tsulaia, Vakhtang; Dotti, Andrea; ATLAS Collaboration

2017-10-01

The Knights Landing (KNL) release of the Intel Many Integrated Core (MIC) Xeon Phi line of processors is a potential game changer for HEP computing. With 72 cores and deep vector registers, the KNL cards promise significant performance benefits for highly-parallel, compute-heavy applications. Cori, the newest supercomputer at the National Energy Research Scientific Computing Center (NERSC), was delivered to its users in two phases with the first phase online at the end of 2015 and the second phase now online at the end of 2016. Cori Phase 2 is based on the KNL architecture and contains over 9000 compute nodes with 96GB DDR4 memory. ATLAS simulation with the multithreaded Athena Framework (AthenaMT) is a good potential use-case for the KNL architecture and supercomputers like Cori. ATLAS simulation jobs have a high ratio of CPU computation to disk I/O and have been shown to scale well in multi-threading and across many nodes. In this paper we will give an overview of the ATLAS simulation application with details on its multi-threaded design. Then, we will present a performance analysis of the application on KNL devices and compare it to a traditional x86 platform to demonstrate the capabilities of the architecture and evaluate the benefits of utilizing KNL platforms like Cori for ATLAS production.

Detecting Silent Data Corruption for Extreme-Scale Applications through Data Mining

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bautista-Gomez, Leonardo; Cappello, Franck

Supercomputers allow scientists to study natural phenomena by means of computer simulations. Next-generation machines are expected to have more components and, at the same time, consume several times less energy per operation. These trends are pushing supercomputer construction to the limits of miniaturization and energy-saving strategies. Consequently, the number of soft errors is expected to increase dramatically in the coming years. While mechanisms are in place to correct or at least detect some soft errors, a significant percentage of those errors pass unnoticed by the hardware. Such silent errors are extremely damaging because they can make applications silently produce wrongmore » results. In this work we propose a technique that leverages certain properties of high-performance computing applications in order to detect silent errors at the application level. Our technique detects corruption solely based on the behavior of the application datasets and is completely application-agnostic. We propose multiple corruption detectors, and we couple them to work together in a fashion transparent to the user. We demonstrate that this strategy can detect the majority of the corruptions, while incurring negligible overhead. We show that with the help of these detectors, applications can have up to 80% of coverage against data corruption.« less

The ASCI Network for SC '99: A Step on the Path to a 100 Gigabit Per Second Supercomputing Network

DOE Office of Scientific and Technical Information (OSTI.GOV)

PRATT,THOMAS J.; TARMAN,THOMAS D.; MARTINEZ,LUIS M.

2000-07-24

This document highlights the Discom{sup 2}'s Distance computing and communication team activities at the 1999 Supercomputing conference in Portland, Oregon. This conference is sponsored by the IEEE and ACM. Sandia, Lawrence Livermore and Los Alamos National laboratories have participated in this conference for eleven years. For the last four years the three laboratories have come together at the conference under the DOE's ASCI, Accelerated Strategic Computing Initiatives rubric. Communication support for the ASCI exhibit is provided by the ASCI DISCOM{sup 2} project. The DISCOM{sup 2} communication team uses this forum to demonstrate and focus communication and networking developments within themore » community. At SC 99, DISCOM built a prototype of the next generation ASCI network demonstrated remote clustering techniques, demonstrated the capabilities of the emerging Terabit Routers products, demonstrated the latest technologies for delivering visualization data to the scientific users, and demonstrated the latest in encryption methods including IP VPN technologies and ATM encryption research. The authors also coordinated the other production networking activities within the booth and between their demonstration partners on the exhibit floor. This paper documents those accomplishments, discusses the details of their implementation, and describes how these demonstrations support Sandia's overall strategies in ASCI networking.« less

PREFACE: WMO/GEO Expert Meeting On An International Sand And Dust Storm Warning System

NASA Astrophysics Data System (ADS)

Pérez, C.; Baldasano, J. M.

2009-03-01

This volume of IOP Conference Series: Earth and Environmental Science presents a selection of papers that were given at the WMO/GEO Expert Meeting on an International Sand and Dust Storm Warning System hosted by the Barcelona Supercomputing Center - Centro Nacional de Supercomputación in Barcelona (Spain) on 7-9 November 2007 (http://www.bsc.es/wmo). A sand and dust storm (SDS) is a meteorological phenomenon common in arid and semi-arid regions and arises when a gust front passes or when the wind force exceeds the threshold value where loose sand and dust are removed from the dry surface. After aeolian uptake, SDS reduce visibility to a few meters in and near source regions, and dust plumes are transported over distances as long as thousands of kilometres. Aeolian dust is unique among aerosol phenomena: (1) with the possible exception of sea-salt aerosol, it is globally the most abundant of all aerosol species, (2) it appears as the dominating component of atmospheric aerosol over large areas of the Earth, (3) it represents a serious hazard for life, health, property, environment and economy (occasionally reaching the grade of disaster or catastrophic event) and (4) its influence, impacts, complex interactions and feedbacks within the Earth System span a wide range of spatial and temporal scales. From a political and societal point of view, the concern for SDS and the need for international cooperation were reflected after a survey conducted in 2005 by the World Meteorological Organization (WMO) in which more than forty WMO Member countries expressed their interest for creating or improving capacities for SDS warning advisory and assessment. In this context, recent major advances in research - including, for example, the development and implementation of advanced observing systems, the theoretical understanding of the mechanisms responsible for sand and dust storm generation and the development of global and regional dust models - represent the basis for developing applications focusing on societal benefit and risk reduction. However, at present there are interdisciplinary research challenges to overwhelm current uncertainties in order to reach full potential. Furthermore, the community of practice for SDS observations, forecasts and analyses is mainly scientifically based and rather disconnected from potential users. This requires the development of interfaces with operational communities at international and national levels, strongly focusing on the needs of people and factors at risk. The WMO has taken the lead with international partners to develop and implement a Sand and Dust Storm Warning Advisory and Assessment System (SDS-WAS). The history of the WMO SDS-WAS development is as follows. On 12-14 September 2004, an International Symposium on Sand and Dust Storms was held in Beijing at the China Meteorological Agency followed by a WMO Experts Workshop on Sand and Dust Storms. The recommendations of that workshop led to a proposal to create a WMO Sand and Dust Storm Project coordinated jointly with the Global Atmosphere Watch (GAW). This was approved by the steering body of the World Weather Research Programme (WWRP) in 2005. Responding to a WMO survey conducted in 2005, more than forty WMO Member countries expressed interest in participating in activities to improve capacities for more reliable sand and dust storm monitoring, forecasting and assessment. On 31 October to 1 November 2006 in Shanghai, the steering committee of the Sand and Dust Storm Project proposed the development and implementation of a Sand and Dust Storm Warning, Advisory and Assessment System (SDS-WAS). The WMO Secretariat in Geneva formed an ad-hoc Internal Group on SDS-WAS consisting of scientific officers representing WMO research, observations, operational prediction, service delivery and applications programmes such as aviation and agriculture. In May 2007, the 14th WMO Congress endorsed the launching of the SDS-WAS. It also welcomed the strong support of Spain to host a regional centre for the European/African/Middle East node of SDS-WAS and to play a lead role in implementation. In August 2007, the Korean Meteorological Administration hosted the 2nd International Workshop on Sand and Dust Storms highlighting Korean SDS-WAS activities as well as those of Asian regional partners. From 7-9 November 2007, Spain hosted the WMO/GEO Expert Meeting on SDS-WAS at the Barcelona Supercomputing Center. This consultation meeting brought 100 international experts together from research, observation, forecasting and user countries especially in Africa and the Middle East to discuss the way forward in SDS-WAS implementation. The general objective of the WMO/GEO Expert Meeting on an International Sand and Dust Storm Warning System was to discuss and recommend actions needed to develop a global routine SDS-WAS based on integrating numerical SDS prediction and observing systems, and on establishing effective cooperation between data producers and user communities in order to provide SDS-WAS products capable of contributing to the reduction of risks from SDS. The specific objectives were: to identify, present and suggest future real-time observations for forecast verification and dust surveillance: satellite, ground-based remote sensing (passive and active) and in-situ monitoring to present ongoing forecasting activities to discuss and identify user needs: health, air quality, air transport operations, ocean, and others to identify and discuss dust research issues relevant for operational forecast applications to present the concept of SDS-WAS and Regional Centers The meeting was organised around invited presentations and discussions on observations, modelling and users of the SDS-WAS. C Pérez and J M Baldasano Editors INTERNATIONAL STEERING COMMITTEE José María Baldasano (Chairman) - Barcelona Supercomputing Center, Spain Emilio Cuevas - Instituto Nacional de Meteorología, Spain Leonard A Barrie - World Meteorological Organisation, Switzerland Young J Kim - Gwangju Institute of Science and Technology, Korea Menas Kafatos - George Mason University, USA Xiaoye Zhang - Chinese Meteorology Administration, China Slobodan Nickovic - World Meteorological Organisation, Switzerland Carlos Pérez - Barcelona Supercomputing Center, Spain William A Sprigg - University of Arizona, USA Stéphane Alfaro - Université de Paris Val de Marne, France Ina Tegen - Leibniz Institute for Tropospheric Research, Germany Mohamed Mahmoud Eissa - Under-secretary of State for Researches, Egypt Sunling Gong - Environment Canada, Canada Emily Firth - GEO Secretariat, Switzerland LOCAL ORGANISING COMMITTEE José María Baldasano - Barcelona Supercomputing Center, Spain Carlos Pérez - Barcelona Supercomputing Center, Spain Renata Giménez - Barcelona Supercomputing Center, Spain Emilio Cuevas - Instituto Nacional de Meteorología, Spain Slobodan Nickovic - World Meteorological Organisation, Switzerland J M Marcos - Instituto Nacional de Meteorología, Spain Manuel Palomares - Instituto Nacional de Meteorología, Spain Xavier Querol - Consejo Superior de Investigaciones Científicas, Spain Conference photograph

Kriging for Spatial-Temporal Data on the Bridges Supercomputer

NASA Astrophysics Data System (ADS)

Hodgess, E. M.

2017-12-01

Currently, kriging of spatial-temporal data is slow and limited to relatively small vector sizes. We have developed a method on the Bridges supercomputer, at the Pittsburgh supercomputer center, which uses a combination of the tools R, Fortran, the Message Passage Interface (MPI), OpenACC, and special R packages for big data. This combination of tools now permits us to complete tasks which could previously not be completed, or takes literally hours to complete. We ran simulation studies from a laptop against the supercomputer. We also look at "real world" data sets, such as the Irish wind data, and some weather data. We compare the timings. We note that the timings are suprising good.

Multiple DNA and protein sequence alignment on a workstation and a supercomputer.

PubMed

Tajima, K

1988-11-01

This paper describes a multiple alignment method using a workstation and supercomputer. The method is based on the alignment of a set of aligned sequences with the new sequence, and uses a recursive procedure of such alignment. The alignment is executed in a reasonable computation time on diverse levels from a workstation to a supercomputer, from the viewpoint of alignment results and computational speed by parallel processing. The application of the algorithm is illustrated by several examples of multiple alignment of 12 amino acid and DNA sequences of HIV (human immunodeficiency virus) env genes. Colour graphic programs on a workstation and parallel processing on a supercomputer are discussed.

Integrating the ODI-PPA scientific gateway with the QuickReduce pipeline for on-demand processing

NASA Astrophysics Data System (ADS)

Young, Michael D.; Kotulla, Ralf; Gopu, Arvind; Liu, Wilson

2014-07-01

As imaging systems improve, the size of astronomical data has continued to grow, making the transfer and processing of data a significant burden. To solve this problem for the WIYN Observatory One Degree Imager (ODI), we developed the ODI-Portal, Pipeline, and Archive (ODI-PPA) science gateway, integrating the data archive, data reduction pipelines, and a user portal. In this paper, we discuss the integration of the QuickReduce (QR) pipeline into PPA's Tier 2 processing framework. QR is a set of parallelized, stand-alone Python routines accessible to all users, and operators who can create master calibration products and produce standardized calibrated data, with a short turn-around time. Upon completion, the data are ingested into the archive and portal, and made available to authorized users. Quality metrics and diagnostic plots are generated and presented via the portal for operator approval and user perusal. Additionally, users can tailor the calibration process to their specific science objective(s) by selecting custom datasets, applying preferred master calibrations or generating their own, and selecting pipeline options. Submission of a QuickReduce job initiates data staging, pipeline execution, and ingestion of output data products all while allowing the user to monitor the process status, and to download or further process/analyze the output within the portal. User-generated data products are placed into a private user-space within the portal. ODI-PPA leverages cyberinfrastructure at Indiana University including the Big Red II supercomputer, the Scholarly Data Archive tape system and the Data Capacitor shared file system.

The Next Frontier in Computing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarrao, John

2016-11-16

Exascale computing refers to computing systems capable of at least one exaflop or a billion calculations per second (1018). That is 50 times faster than the most powerful supercomputers being used today and represents a thousand-fold increase over the first petascale computer that came into operation in 2008. How we use these large-scale simulation resources is the key to solving some of today’s most pressing problems, including clean energy production, nuclear reactor lifetime extension and nuclear stockpile aging.

B-MIC: An Ultrafast Three-Level Parallel Sequence Aligner Using MIC.

PubMed

Cui, Yingbo; Liao, Xiangke; Zhu, Xiaoqian; Wang, Bingqiang; Peng, Shaoliang

2016-03-01

Sequence alignment is the central process for sequence analysis, where mapping raw sequencing data to reference genome. The large amount of data generated by NGS is far beyond the process capabilities of existing alignment tools. Consequently, sequence alignment becomes the bottleneck of sequence analysis. Intensive computing power is required to address this challenge. Intel recently announced the MIC coprocessor, which can provide massive computing power. The Tianhe-2 is the world's fastest supercomputer now equipped with three MIC coprocessors each compute node. A key feature of sequence alignment is that different reads are independent. Considering this property, we proposed a MIC-oriented three-level parallelization strategy to speed up BWA, a widely used sequence alignment tool, and developed our ultrafast parallel sequence aligner: B-MIC. B-MIC contains three levels of parallelization: firstly, parallelization of data IO and reads alignment by a three-stage parallel pipeline; secondly, parallelization enabled by MIC coprocessor technology; thirdly, inter-node parallelization implemented by MPI. In this paper, we demonstrate that B-MIC outperforms BWA by a combination of those techniques using Inspur NF5280M server and the Tianhe-2 supercomputer. To the best of our knowledge, B-MIC is the first sequence alignment tool to run on Intel MIC and it can achieve more than fivefold speedup over the original BWA while maintaining the alignment precision.

RISC Processors and High Performance Computing

NASA Technical Reports Server (NTRS)

Saini, Subhash; Bailey, David H.; Lasinski, T. A. (Technical Monitor)

1995-01-01

In this tutorial, we will discuss top five current RISC microprocessors: The IBM Power2, which is used in the IBM RS6000/590 workstation and in the IBM SP2 parallel supercomputer, the DEC Alpha, which is in the DEC Alpha workstation and in the Cray T3D; the MIPS R8000, which is used in the SGI Power Challenge; the HP PA-RISC 7100, which is used in the HP 700 series workstations and in the Convex Exemplar; and the Cray proprietary processor, which is used in the new Cray J916. The architecture of these microprocessors will first be presented. The effective performance of these processors will then be compared, both by citing standard benchmarks and also in the context of implementing a real applications. In the process, different programming models such as data parallel (CM Fortran and HPF) and message passing (PVM and MPI) will be introduced and compared. The latest NAS Parallel Benchmark (NPB) absolute performance and performance per dollar figures will be presented. The next generation of the NP13 will also be described. The tutorial will conclude with a discussion of general trends in the field of high performance computing, including likely future developments in hardware and software technology, and the relative roles of vector supercomputers tightly coupled parallel computers, and clusters of workstations. This tutorial will provide a unique cross-machine comparison not available elsewhere.

Supercomputing in Aerospace

NASA Technical Reports Server (NTRS)

Kutler, Paul; Yee, Helen

1987-01-01

Topics addressed include: numerical aerodynamic simulation; computational mechanics; supercomputers; aerospace propulsion systems; computational modeling in ballistics; turbulence modeling; computational chemistry; computational fluid dynamics; and computational astrophysics.

A Real-time 3D Visualization of Global MHD Simulation for Space Weather Forecasting

NASA Astrophysics Data System (ADS)

Murata, K.; Matsuoka, D.; Kubo, T.; Shimazu, H.; Tanaka, T.; Fujita, S.; Watari, S.; Miyachi, H.; Yamamoto, K.; Kimura, E.; Ishikura, S.

2006-12-01

Recently, many satellites for communication networks and scientific observation are launched in the vicinity of the Earth (geo-space). The electromagnetic (EM) environments around the spacecraft are always influenced by the solar wind blowing from the Sun and induced electromagnetic fields. They occasionally cause various troubles or damages, such as electrification and interference, to the spacecraft. It is important to forecast the geo-space EM environment as well as the ground weather forecasting. Owing to the recent remarkable progresses of super-computer technologies, numerical simulations have become powerful research methods in the solar-terrestrial physics. For the necessity of space weather forecasting, NICT (National Institute of Information and Communications Technology) has developed a real-time global MHD simulation system of solar wind-magnetosphere-ionosphere couplings, which has been performed on a super-computer SX-6. The real-time solar wind parameters from the ACE spacecraft at every one minute are adopted as boundary conditions for the simulation. Simulation results (2-D plots) are updated every 1 minute on a NICT website. However, 3D visualization of simulation results is indispensable to forecast space weather more accurately. In the present study, we develop a real-time 3D webcite for the global MHD simulations. The 3-D visualization results of simulation results are updated every 20 minutes in the following three formats: (1)Streamlines of magnetic field lines, (2)Isosurface of temperature in the magnetosphere and (3)Isoline of conductivity and orthogonal plane of potential in the ionosphere. For the present study, we developed a 3-D viewer application working on Internet Explorer browser (ActiveX) is implemented, which was developed on the AVS/Express. Numerical data are saved in the HDF5 format data files every 1 minute. Users can easily search, retrieve and plot past simulation results (3D visualization data and numerical data) by using the STARS (Solar-terrestrial data Analysis and Reference System). The STARS is a data analysis system for satellite and ground-based observation data for solar-terrestrial physics.

Akuna: An Open Source User Environment for Managing Subsurface Simulation Workflows

NASA Astrophysics Data System (ADS)

Freedman, V. L.; Agarwal, D.; Bensema, K.; Finsterle, S.; Gable, C. W.; Keating, E. H.; Krishnan, H.; Lansing, C.; Moeglein, W.; Pau, G. S. H.; Porter, E.; Scheibe, T. D.

2014-12-01

The U.S. Department of Energy (DOE) is investing in development of a numerical modeling toolset called ASCEM (Advanced Simulation Capability for Environmental Management) to support modeling analyses at legacy waste sites. ASCEM is an open source and modular computing framework that incorporates new advances and tools for predicting contaminant fate and transport in natural and engineered systems. The ASCEM toolset includes both a Platform with Integrated Toolsets (called Akuna) and a High-Performance Computing multi-process simulator (called Amanzi). The focus of this presentation is on Akuna, an open-source user environment that manages subsurface simulation workflows and associated data and metadata. In this presentation, key elements of Akuna are demonstrated, which includes toolsets for model setup, database management, sensitivity analysis, parameter estimation, uncertainty quantification, and visualization of both model setup and simulation results. A key component of the workflow is in the automated job launching and monitoring capabilities, which allow a user to submit and monitor simulation runs on high-performance, parallel computers. Visualization of large outputs can also be performed without moving data back to local resources. These capabilities make high-performance computing accessible to the users who might not be familiar with batch queue systems and usage protocols on different supercomputers and clusters.

VRML and Collaborative Environments: New Tools for Networked Visualization

NASA Astrophysics Data System (ADS)

Crutcher, R. M.; Plante, R. L.; Rajlich, P.

We present two new applications that engage the network as a tool for astronomical research and/or education. The first is a VRML server which allows users over the Web to interactively create three-dimensional visualizations of FITS images contained in the NCSA Astronomy Digital Image Library (ADIL). The server's Web interface allows users to select images from the ADIL, fill in processing parameters, and create renderings featuring isosurfaces, slices, contours, and annotations; the often extensive computations are carried out on an NCSA SGI supercomputer server without the user having an individual account on the system. The user can then download the 3D visualizations as VRML files, which may be rotated and manipulated locally on virtually any class of computer. The second application is the ADILBrowser, a part of the NCSA Horizon Image Data Browser Java package. ADILBrowser allows a group of participants to browse images from the ADIL within a collaborative session. The collaborative environment is provided by the NCSA Habanero package which includes text and audio chat tools and a white board. The ADILBrowser is just an example of a collaborative tool that can be built with the Horizon and Habanero packages. The classes provided by these packages can be assembled to create custom collaborative applications that visualize data either from local disk or from anywhere on the network.

Red Storm usage model :Version 1.12.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jefferson, Karen L.; Sturtevant, Judith E.

Red Storm is an Advanced Simulation and Computing (ASC) funded massively parallel supercomputer located at Sandia National Laboratories (SNL). The Red Storm Usage Model (RSUM) documents the capabilities and the environment provided for the FY05 Tri-Lab Level II Limited Availability Red Storm User Environment Milestone and the FY05 SNL Level II Limited Availability Red Storm Platform Milestone. This document describes specific capabilities, tools, and procedures to support both local and remote users. The model is focused on the needs of the ASC user working in the secure computing environments at Los Alamos National Laboratory (LANL), Lawrence Livermore National Laboratory (LLNL),more » and SNL. Additionally, the Red Storm Usage Model maps the provided capabilities to the Tri-Lab ASC Computing Environment (ACE) requirements. The ACE requirements reflect the high performance computing requirements for the ASC community and have been updated in FY05 to reflect the community's needs. For each section of the RSUM, Appendix I maps the ACE requirements to the Limited Availability User Environment capabilities and includes a description of ACE requirements met and those requirements that are not met in that particular section. The Red Storm Usage Model, along with the ACE mappings, has been issued and vetted throughout the Tri-Lab community.« less

An approach for coupled-code multiphysics core simulations from a common input

DOE PAGES

Schmidt, Rodney; Belcourt, Kenneth; Hooper, Russell; ...

2014-12-10

This study describes an approach for coupled-code multiphysics reactor core simulations that is being developed by the Virtual Environment for Reactor Applications (VERA) project in the Consortium for Advanced Simulation of Light-Water Reactors (CASL). In this approach a user creates a single problem description, called the “VERAIn” common input file, to define and setup the desired coupled-code reactor core simulation. A preprocessing step accepts the VERAIn file and generates a set of fully consistent input files for the different physics codes being coupled. The problem is then solved using a single-executable coupled-code simulation tool applicable to the problem, which ismore » built using VERA infrastructure software tools and the set of physics codes required for the problem of interest. The approach is demonstrated by performing an eigenvalue and power distribution calculation of a typical three-dimensional 17 × 17 assembly with thermal–hydraulic and fuel temperature feedback. All neutronics aspects of the problem (cross-section calculation, neutron transport, power release) are solved using the Insilico code suite and are fully coupled to a thermal–hydraulic analysis calculated by the Cobra-TF (CTF) code. The single-executable coupled-code (Insilico-CTF) simulation tool is created using several VERA tools, including LIME (Lightweight Integrating Multiphysics Environment for coupling codes), DTK (Data Transfer Kit), Trilinos, and TriBITS. Parallel calculations are performed on the Titan supercomputer at Oak Ridge National Laboratory using 1156 cores, and a synopsis of the solution results and code performance is presented. Finally, ongoing development of this approach is also briefly described.« less

Supercomputing '91; Proceedings of the 4th Annual Conference on High Performance Computing, Albuquerque, NM, Nov. 18-22, 1991

NASA Technical Reports Server (NTRS)

1991-01-01

Various papers on supercomputing are presented. The general topics addressed include: program analysis/data dependence, memory access, distributed memory code generation, numerical algorithms, supercomputer benchmarks, latency tolerance, parallel programming, applications, processor design, networks, performance tools, mapping and scheduling, characterization affecting performance, parallelism packaging, computing climate change, combinatorial algorithms, hardware and software performance issues, system issues. (No individual items are abstracted in this volume)

Seismic signal processing on heterogeneous supercomputers

NASA Astrophysics Data System (ADS)

Gokhberg, Alexey; Ermert, Laura; Fichtner, Andreas

2015-04-01

The processing of seismic signals - including the correlation of massive ambient noise data sets - represents an important part of a wide range of seismological applications. It is characterized by large data volumes as well as high computational input/output intensity. Development of efficient approaches towards seismic signal processing on emerging high performance computing systems is therefore essential. Heterogeneous supercomputing systems introduced in the recent years provide numerous computing nodes interconnected via high throughput networks, every node containing a mix of processing elements of different architectures, like several sequential processor cores and one or a few graphical processing units (GPU) serving as accelerators. A typical representative of such computing systems is "Piz Daint", a supercomputer of the Cray XC 30 family operated by the Swiss National Supercomputing Center (CSCS), which we used in this research. Heterogeneous supercomputers provide an opportunity for manifold application performance increase and are more energy-efficient, however they have much higher hardware complexity and are therefore much more difficult to program. The programming effort may be substantially reduced by the introduction of modular libraries of software components that can be reused for a wide class of seismology applications. The ultimate goal of this research is design of a prototype for such library suitable for implementing various seismic signal processing applications on heterogeneous systems. As a representative use case we have chosen an ambient noise correlation application. Ambient noise interferometry has developed into one of the most powerful tools to image and monitor the Earth's interior. Future applications will require the extraction of increasingly small details from noise recordings. To meet this demand, more advanced correlation techniques combined with very large data volumes are needed. This poses new computational problems that require dedicated HPC solutions. The chosen application is using a wide range of common signal processing methods, which include various IIR filter designs, amplitude and phase correlation, computing the analytic signal, and discrete Fourier transforms. Furthermore, various processing methods specific for seismology, like rotation of seismic traces, are used. Efficient implementation of all these methods on the GPU-accelerated systems represents several challenges. In particular, it requires a careful distribution of work between the sequential processors and accelerators. Furthermore, since the application is designed to process very large volumes of data, special attention had to be paid to the efficient use of the available memory and networking hardware resources in order to reduce intensity of data input and output. In our contribution we will explain the software architecture as well as principal engineering decisions used to address these challenges. We will also describe the programming model based on C++ and CUDA that we used to develop the software. Finally, we will demonstrate performance improvements achieved by using the heterogeneous computing architecture. This work was supported by a grant from the Swiss National Supercomputing Centre (CSCS) under project ID d26.

ICON-MIC: Implementing a CPU/MIC Collaboration Parallel Framework for ICON on Tianhe-2 Supercomputer.

PubMed

Wang, Zihao; Chen, Yu; Zhang, Jingrong; Li, Lun; Wan, Xiaohua; Liu, Zhiyong; Sun, Fei; Zhang, Fa

2018-03-01

Electron tomography (ET) is an important technique for studying the three-dimensional structures of the biological ultrastructure. Recently, ET has reached sub-nanometer resolution for investigating the native and conformational dynamics of macromolecular complexes by combining with the sub-tomogram averaging approach. Due to the limited sampling angles, ET reconstruction typically suffers from the "missing wedge" problem. Using a validation procedure, iterative compressed-sensing optimized nonuniform fast Fourier transform (NUFFT) reconstruction (ICON) demonstrates its power in restoring validated missing information for a low-signal-to-noise ratio biological ET dataset. However, the huge computational demand has become a bottleneck for the application of ICON. In this work, we implemented a parallel acceleration technology ICON-many integrated core (MIC) on Xeon Phi cards to address the huge computational demand of ICON. During this step, we parallelize the element-wise matrix operations and use the efficient summation of a matrix to reduce the cost of matrix computation. We also developed parallel versions of NUFFT on MIC to achieve a high acceleration of ICON by using more efficient fast Fourier transform (FFT) calculation. We then proposed a hybrid task allocation strategy (two-level load balancing) to improve the overall performance of ICON-MIC by making full use of the idle resources on Tianhe-2 supercomputer. Experimental results using two different datasets show that ICON-MIC has high accuracy in biological specimens under different noise levels and a significant acceleration, up to 13.3 × , compared with the CPU version. Further, ICON-MIC has good scalability efficiency and overall performance on Tianhe-2 supercomputer.

Parallel Multivariate Spatio-Temporal Clustering of Large Ecological Datasets on Hybrid Supercomputers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sreepathi, Sarat; Kumar, Jitendra; Mills, Richard T.

A proliferation of data from vast networks of remote sensing platforms (satellites, unmanned aircraft systems (UAS), airborne etc.), observational facilities (meteorological, eddy covariance etc.), state-of-the-art sensors, and simulation models offer unprecedented opportunities for scientific discovery. Unsupervised classification is a widely applied data mining approach to derive insights from such data. However, classification of very large data sets is a complex computational problem that requires efficient numerical algorithms and implementations on high performance computing (HPC) platforms. Additionally, increasing power, space, cooling and efficiency requirements has led to the deployment of hybrid supercomputing platforms with complex architectures and memory hierarchies like themore » Titan system at Oak Ridge National Laboratory. The advent of such accelerated computing architectures offers new challenges and opportunities for big data analytics in general and specifically, large scale cluster analysis in our case. Although there is an existing body of work on parallel cluster analysis, those approaches do not fully meet the needs imposed by the nature and size of our large data sets. Moreover, they had scaling limitations and were mostly limited to traditional distributed memory computing platforms. We present a parallel Multivariate Spatio-Temporal Clustering (MSTC) technique based on k-means cluster analysis that can target hybrid supercomputers like Titan. We developed a hybrid MPI, CUDA and OpenACC implementation that can utilize both CPU and GPU resources on computational nodes. We describe performance results on Titan that demonstrate the scalability and efficacy of our approach in processing large ecological data sets.« less

Constructing Space-Time Views from Fixed Size Statistical Data: Getting the Best of both Worlds

NASA Technical Reports Server (NTRS)

Schmidt, Melisa; Yan, Jerry C.

1997-01-01

Many performance monitoring tools are currently available to the super-computing community. The performance data gathered and analyzed by these tools fall under two categories: statistics and event traces. Statistical data is much more compact but lacks the probative power event traces offer. Event traces, on the other hand, can easily fill up the entire file system during execution such that the instrumented execution may have to be terminated half way through. In this paper, we propose an innovative methodology for performance data gathering and representation that offers a middle ground. The user can trade-off tracing overhead, trace data size vs. data quality incrementally. In other words, the user will be able to limit the amount of trace collected and, at the same time, carry out some of the analysis event traces offer using space-time views for the entire execution. Two basic ideas arc employed: the use of averages to replace recording data for each instance and formulae to represent sequences associated with communication and control flow. With the help of a few simple examples, we illustrate the use of these techniques in performance tuning and compare the quality of the traces we collected vs. event traces. We found that the trace files thus obtained are, in deed, small, bounded and predictable before program execution and that the quality of the space time views generated from these statistical data are excellent. Furthermore, experimental results showed that the formulae proposed were able to capture 100% of all the sequences associated with 11 of the 15 applications tested. The performance of the formulae can be incrementally improved by allocating more memory at run-time to learn longer sequences.

Constructing Space-Time Views from Fixed Size Statistical Data: Getting the Best of Both Worlds

NASA Technical Reports Server (NTRS)

Schmidt, Melisa; Yan, Jerry C.; Bailey, David (Technical Monitor)

1996-01-01

Many performance monitoring tools are currently available to the super-computing community. The performance data gathered and analyzed by these tools fall under two categories: statistics and event traces. Statistical data is much more compact but lacks the probative power event traces offer. Event traces, on the other hand, can easily fill up the entire file system during execution such that the instrumented execution may have to be terminated half way through. In this paper, we propose an innovative methodology for performance data gathering and representation that offers a middle ground. The user can trade-off tracing overhead, trace data size vs. data quality incrementally. In other words, the user will be able to limit the amount of trace collected and, at the same time, carry out some of the analysis event traces offer using spacetime views for the entire execution. Two basic ideas are employed: the use of averages to replace recording data for each instance and "formulae" to represent sequences associated with communication and control flow. With the help of a few simple examples, we illustrate the use of these techniques in performance tuning and compare the quality of the traces we collected vs. event traces. We found that the trace files thus obtained are, in deed, small, bounded and predictable before program execution and that the quality of the space time views generated from these statistical data are excellent. Furthermore, experimental results showed that the formulae proposed were able to capture 100% of all the sequences associated with 11 of the 15 applications tested. The performance of the formulae can be incrementally improved by allocating more memory at run-time to learn longer sequences.

Finding Tropical Cyclones on a Cloud Computing Cluster: Using Parallel Virtualization for Large-Scale Climate Simulation Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hasenkamp, Daren; Sim, Alexander; Wehner, Michael

Extensive computing power has been used to tackle issues such as climate changes, fusion energy, and other pressing scientific challenges. These computations produce a tremendous amount of data; however, many of the data analysis programs currently only run a single processor. In this work, we explore the possibility of using the emerging cloud computing platform to parallelize such sequential data analysis tasks. As a proof of concept, we wrap a program for analyzing trends of tropical cyclones in a set of virtual machines (VMs). This approach allows the user to keep their familiar data analysis environment in the VMs, whilemore » we provide the coordination and data transfer services to ensure the necessary input and output are directed to the desired locations. This work extensively exercises the networking capability of the cloud computing systems and has revealed a number of weaknesses in the current cloud system software. In our tests, we are able to scale the parallel data analysis job to a modest number of VMs and achieve a speedup that is comparable to running the same analysis task using MPI. However, compared to MPI based parallelization, the cloud-based approach has a number of advantages. The cloud-based approach is more flexible because the VMs can capture arbitrary software dependencies without requiring the user to rewrite their programs. The cloud-based approach is also more resilient to failure; as long as a single VM is running, it can make progress while as soon as one MPI node fails the whole analysis job fails. In short, this initial work demonstrates that a cloud computing system is a viable platform for distributed scientific data analyses traditionally conducted on dedicated supercomputing systems.« less

Improving the energy efficiency of sparse linear system solvers on multicore and manycore systems.

PubMed

Anzt, H; Quintana-Ortí, E S

2014-06-28

While most recent breakthroughs in scientific research rely on complex simulations carried out in large-scale supercomputers, the power draft and energy spent for this purpose is increasingly becoming a limiting factor to this trend. In this paper, we provide an overview of the current status in energy-efficient scientific computing by reviewing different technologies used to monitor power draft as well as power- and energy-saving mechanisms available in commodity hardware. For the particular domain of sparse linear algebra, we analyse the energy efficiency of a broad collection of hardware architectures and investigate how algorithmic and implementation modifications can improve the energy performance of sparse linear system solvers, without negatively impacting their performance. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

High Temporal Resolution Mapping of Seismic Noise Sources Using Heterogeneous Supercomputers

NASA Astrophysics Data System (ADS)

Paitz, P.; Gokhberg, A.; Ermert, L. A.; Fichtner, A.

2017-12-01

The time- and space-dependent distribution of seismic noise sources is becoming a key ingredient of modern real-time monitoring of various geo-systems like earthquake fault zones, volcanoes, geothermal and hydrocarbon reservoirs. We present results of an ongoing research project conducted in collaboration with the Swiss National Supercomputing Centre (CSCS). The project aims at building a service providing seismic noise source maps for Central Europe with high temporal resolution. We use source imaging methods based on the cross-correlation of seismic noise records from all seismic stations available in the region of interest. The service is hosted on the CSCS computing infrastructure; all computationally intensive processing is performed on the massively parallel heterogeneous supercomputer "Piz Daint". The solution architecture is based on the Application-as-a-Service concept to provide the interested researchers worldwide with regular access to the noise source maps. The solution architecture includes the following sub-systems: (1) data acquisition responsible for collecting, on a periodic basis, raw seismic records from the European seismic networks, (2) high-performance noise source mapping application responsible for the generation of source maps using cross-correlation of seismic records, (3) back-end infrastructure for the coordination of various tasks and computations, (4) front-end Web interface providing the service to the end-users and (5) data repository. The noise source mapping itself rests on the measurement of logarithmic amplitude ratios in suitably pre-processed noise correlations, and the use of simplified sensitivity kernels. During the implementation we addressed various challenges, in particular, selection of data sources and transfer protocols, automation and monitoring of daily data downloads, ensuring the required data processing performance, design of a general service-oriented architecture for coordination of various sub-systems, and engineering an appropriate data storage solution. The present pilot version of the service implements noise source maps for Switzerland. Extension of the solution to Central Europe is planned for the next project phase.

Demonstration of NICT Space Weather Cloud --Integration of Supercomputer into Analysis and Visualization Environment--

NASA Astrophysics Data System (ADS)

Watari, S.; Morikawa, Y.; Yamamoto, K.; Inoue, S.; Tsubouchi, K.; Fukazawa, K.; Kimura, E.; Tatebe, O.; Kato, H.; Shimojo, S.; Murata, K. T.

2010-12-01

In the Solar-Terrestrial Physics (STP) field, spatio-temporal resolution of computer simulations is getting higher and higher because of tremendous advancement of supercomputers. A more advanced technology is Grid Computing that integrates distributed computational resources to provide scalable computing resources. In the simulation research, it is effective that a researcher oneself designs his physical model, performs calculations with a supercomputer, and analyzes and visualizes for consideration by a familiar method. A supercomputer is far from an analysis and visualization environment. In general, a researcher analyzes and visualizes in the workstation (WS) managed at hand because the installation and the operation of software in the WS are easy. Therefore, it is necessary to copy the data from the supercomputer to WS manually. Time necessary for the data transfer through long delay network disturbs high-accuracy simulations actually. In terms of usefulness, integrating a supercomputer and an analysis and visualization environment seamlessly with a researcher's familiar method is important. NICT has been developing a cloud computing environment (NICT Space Weather Cloud). In the NICT Space Weather Cloud, disk servers are located near its supercomputer and WSs for data analysis and visualization. They are connected to JGN2plus that is high-speed network for research and development. Distributed virtual high-capacity storage is also constructed by Grid Datafarm (Gfarm v2). Huge-size data output from the supercomputer is transferred to the virtual storage through JGN2plus. A researcher can concentrate on the research by a familiar method without regard to distance between a supercomputer and an analysis and visualization environment. Now, total 16 disk servers are setup in NICT headquarters (at Koganei, Tokyo), JGN2plus NOC (at Otemachi, Tokyo), Okinawa Subtropical Environment Remote-Sensing Center, and Cybermedia Center, Osaka University. They are connected on JGN2plus, and they constitute 1PB (physical size) virtual storage by Gfarm v2. These disk servers are connected with supercomputers of NICT and Osaka University. A system that data output from the supercomputers are automatically transferred to the virtual storage had been built up. Transfer rate is about 50 GB/hrs by actual measurement. It is estimated that the performance is reasonable for a certain simulation and analysis for reconstruction of coronal magnetic field. This research is assumed an experiment of the system, and the verification of practicality is advanced at the same time. Herein we introduce an overview of the space weather cloud system so far we have developed. We also demonstrate several scientific results using the space weather cloud system. We also introduce several web applications of the cloud as a service of the space weather cloud, which is named as "e-SpaceWeather" (e-SW). The e-SW provides with a variety of space weather online services from many aspects.

369 TFlop/s molecular dynamics simulations on the Roadrunner general-purpose heterogeneous supercomputer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Swaminarayan, Sriram; Germann, Timothy C; Kadau, Kai

2008-01-01

The authors present timing and performance numbers for a short-range parallel molecular dynamics (MD) code, SPaSM, that has been rewritten for the heterogeneous Roadrunner supercomputer. Each Roadrunner compute node consists of two AMD Opteron dual-core microprocessors and four PowerXCell 8i enhanced Cell microprocessors, so that there are four MPI ranks per node, each with one Opteron and one Cell. The interatomic forces are computed on the Cells (each with one PPU and eight SPU cores), while the Opterons are used to direct inter-rank communication and perform I/O-heavy periodic analysis, visualization, and checkpointing tasks. The performance measured for our initial implementationmore » of a standard Lennard-Jones pair potential benchmark reached a peak of 369 Tflop/s double-precision floating-point performance on the full Roadrunner system (27.7% of peak), corresponding to 124 MFlop/Watt/s at a price of approximately 3.69 MFlops/dollar. They demonstrate an initial target application, the jetting and ejection of material from a shocked surface.« less

Supercomputers ready for use as discovery machines for neuroscience.

PubMed

Helias, Moritz; Kunkel, Susanne; Masumoto, Gen; Igarashi, Jun; Eppler, Jochen Martin; Ishii, Shin; Fukai, Tomoki; Morrison, Abigail; Diesmann, Markus

2012-01-01

NEST is a widely used tool to simulate biological spiking neural networks. Here we explain the improvements, guided by a mathematical model of memory consumption, that enable us to exploit for the first time the computational power of the K supercomputer for neuroscience. Multi-threaded components for wiring and simulation combine 8 cores per MPI process to achieve excellent scaling. K is capable of simulating networks corresponding to a brain area with 10(8) neurons and 10(12) synapses in the worst case scenario of random connectivity; for larger networks of the brain its hierarchical organization can be exploited to constrain the number of communicating computer nodes. We discuss the limits of the software technology, comparing maximum filling scaling plots for K and the JUGENE BG/P system. The usability of these machines for network simulations has become comparable to running simulations on a single PC. Turn-around times in the range of minutes even for the largest systems enable a quasi interactive working style and render simulations on this scale a practical tool for computational neuroscience.

Waveform inversion for 3-D earth structure using the Direct Solution Method implemented on vector-parallel supercomputer

NASA Astrophysics Data System (ADS)

Hara, Tatsuhiko

2004-08-01

We implement the Direct Solution Method (DSM) on a vector-parallel supercomputer and show that it is possible to significantly improve its computational efficiency through parallel computing. We apply the parallel DSM calculation to waveform inversion of long period (250-500 s) surface wave data for three-dimensional (3-D) S-wave velocity structure in the upper and uppermost lower mantle. We use a spherical harmonic expansion to represent lateral variation with the maximum angular degree 16. We find significant low velocities under south Pacific hot spots in the transition zone. This is consistent with other seismological studies conducted in the Superplume project, which suggests deep roots of these hot spots. We also perform simultaneous waveform inversion for 3-D S-wave velocity and Q structure. Since resolution for Q is not good, we develop a new technique in which power spectra are used as data for inversion. We find good correlation between long wavelength patterns of Vs and Q in the transition zone such as high Vs and high Q under the western Pacific.

Supercomputers Ready for Use as Discovery Machines for Neuroscience

PubMed Central

Helias, Moritz; Kunkel, Susanne; Masumoto, Gen; Igarashi, Jun; Eppler, Jochen Martin; Ishii, Shin; Fukai, Tomoki; Morrison, Abigail; Diesmann, Markus

2012-01-01

NEST is a widely used tool to simulate biological spiking neural networks. Here we explain the improvements, guided by a mathematical model of memory consumption, that enable us to exploit for the first time the computational power of the K supercomputer for neuroscience. Multi-threaded components for wiring and simulation combine 8 cores per MPI process to achieve excellent scaling. K is capable of simulating networks corresponding to a brain area with 108 neurons and 1012 synapses in the worst case scenario of random connectivity; for larger networks of the brain its hierarchical organization can be exploited to constrain the number of communicating computer nodes. We discuss the limits of the software technology, comparing maximum filling scaling plots for K and the JUGENE BG/P system. The usability of these machines for network simulations has become comparable to running simulations on a single PC. Turn-around times in the range of minutes even for the largest systems enable a quasi interactive working style and render simulations on this scale a practical tool for computational neuroscience. PMID:23129998

Integration Of PanDA Workload Management System With Supercomputers for ATLAS and Data Intensive Science

DOE Office of Scientific and Technical Information (OSTI.GOV)

De, K; Jha, S; Klimentov, A

2016-01-01

The Large Hadron Collider (LHC), operating at the international CERN Laboratory in Geneva, Switzerland, is leading Big Data driven scientific explorations. Experiments at the LHC explore the fundamental nature of matter and the basic forces that shape our universe, and were recently credited for the discovery of a Higgs boson. ATLAS, one of the largest collaborations ever assembled in the sciences, is at the forefront of research at the LHC. To address an unprecedented multi-petabyte data processing challenge, the ATLAS experiment is relying on a heterogeneous distributed computational infrastructure. The ATLAS experiment uses PanDA (Production and Data Analysis) Workload Managementmore » System for managing the workflow for all data processing on over 150 data centers. Through PanDA, ATLAS physicists see a single computing facility that enables rapid scientific breakthroughs for the experiment, even though the data centers are physically scattered all over the world. While PanDA currently uses more than 250,000 cores with a peak performance of 0.3 petaFLOPS, LHC data taking runs require more resources than Grid computing can possibly provide. To alleviate these challenges, LHC experiments are engaged in an ambitious program to expand the current computing model to include additional resources such as the opportunistic use of supercomputers. We will describe a project aimed at integration of PanDA WMS with supercomputers in United States, Europe and Russia (in particular with Titan supercomputer at Oak Ridge Leadership Computing Facility (OLCF), MIRA supercomputer at Argonne Leadership Computing Facilities (ALCF), Supercomputer at the National Research Center Kurchatov Institute , IT4 in Ostrava and others). Current approach utilizes modified PanDA pilot framework for job submission to the supercomputers batch queues and local data management, with light-weight MPI wrappers to run single threaded workloads in parallel on LCFs multi-core worker nodes. This implementation was tested with a variety of Monte-Carlo workloads on several supercomputing platforms for ALICE and ATLAS experiments and it is in full production for the ATLAS experiment since September 2015. We will present our current accomplishments with running PanDA WMS at supercomputers and demonstrate our ability to use PanDA as a portal independent of the computing facilities infrastructure for High Energy and Nuclear Physics as well as other data-intensive science applications, such as bioinformatics and astro-particle physics.« less

Semiconductor lasers for versatile applications from global communications to on-chip interconnects

NASA Astrophysics Data System (ADS)

Arai, Shigehisa

2015-01-01

Since semiconductor lasers were realized in 1962, various efforts have been made to enrich human life thorough novel equipments and services. Among them optical fiber communications in global communications have brought out marvelous information technology age represented by the internet. In this paper, emerging topics made on GaInAsP/InP based long-wavelength lasers toward ultra-low power consumption semiconductor lasers for optical interconnects in supercomputers as well as in future LSIs are presented.

Floating-point performance of ARM cores and their efficiency in classical molecular dynamics

NASA Astrophysics Data System (ADS)

Nikolskiy, V.; Stegailov, V.

2016-02-01

Supercomputing of the exascale era is going to be inevitably limited by power efficiency. Nowadays different possible variants of CPU architectures are considered. Recently the development of ARM processors has come to the point when their floating point performance can be seriously considered for a range of scientific applications. In this work we present the analysis of the floating point performance of the latest ARM cores and their efficiency for the algorithms of classical molecular dynamics.

CFD in the 1980's from one point of view

NASA Technical Reports Server (NTRS)

Lomax, Harvard

1991-01-01

The present interpretive treatment of the development history of CFD in the 1980s gives attention to advancements in such algorithmic techniques as flux Jacobian-based upwind differencing, total variation-diminishing and essentially nonoscillatory schemes, multigrid methods, unstructured grids, and nonrectangular structured grids. At the same time, computational turbulence research gave attention to turbulence modeling on the bases of increasingly powerful supercomputers and meticulously constructed databases. The major future developments in CFD will encompass such capabilities as structured and unstructured three-dimensional grids.

The Next Frontier in Computing

ScienceCinema

Sarrao, John

2018-06-13

Exascale computing refers to computing systems capable of at least one exaflop or a billion calculations per second (1018). That is 50 times faster than the most powerful supercomputers being used today and represents a thousand-fold increase over the first petascale computer that came into operation in 2008. How we use these large-scale simulation resources is the key to solving some of today’s most pressing problems, including clean energy production, nuclear reactor lifetime extension and nuclear stockpile aging.

ASTEC: Controls analysis for personal computers

NASA Technical Reports Server (NTRS)

Downing, John P.; Bauer, Frank H.; Thorpe, Christopher J.

1989-01-01

The ASTEC (Analysis and Simulation Tools for Engineering Controls) software is under development at Goddard Space Flight Center (GSFC). The design goal is to provide a wide selection of controls analysis tools at the personal computer level, as well as the capability to upload compute-intensive jobs to a mainframe or supercomputer. The project is a follow-on to the INCA (INteractive Controls Analysis) program that has been developed at GSFC over the past five years. While ASTEC makes use of the algorithms and expertise developed for the INCA program, the user interface was redesigned to take advantage of the capabilities of the personal computer. The design philosophy and the current capabilities of the ASTEC software are described.

Climate Ocean Modeling on a Beowulf Class System

NASA Technical Reports Server (NTRS)

Cheng, B. N.; Chao, Y.; Wang, P.; Bondarenko, M.

2000-01-01

With the growing power and shrinking cost of personal computers. the availability of fast ethernet interconnections, and public domain software packages, it is now possible to combine them to build desktop parallel computers (named Beowulf or PC clusters) at a fraction of what it would cost to buy systems of comparable power front supercomputer companies. This led as to build and assemble our own sys tem. specifically for climate ocean modeling. In this article, we present our experience with such a system, discuss its network performance, and provide some performance comparison data with both HP SPP2000 and Cray T3E for an ocean Model used in present-day oceanographic research.

Efficient utilization of graphics technology for space animation

NASA Technical Reports Server (NTRS)

Panos, Gregory Peter

1989-01-01

Efficient utilization of computer graphics technology has become a major investment in the work of aerospace engineers and mission designers. These new tools are having a significant impact in the development and analysis of complex tasks and procedures which must be prepared prior to actual space flight. Design and implementation of useful methods in applying these tools has evolved into a complex interaction of hardware, software, network, video and various user interfaces. Because few people can understand every aspect of this broad mix of technology, many specialists are required to build, train, maintain and adapt these tools to changing user needs. Researchers have set out to create systems where an engineering designer can easily work to achieve goals with a minimum of technological distraction. This was accomplished with high-performance flight simulation visual systems and supercomputer computational horsepower. Control throughout the creative process is judiciously applied while maintaining generality and ease of use to accommodate a wide variety of engineering needs.

AP-IO: asynchronous pipeline I/O for hiding periodic output cost in CFD simulation.

PubMed

Xiaoguang, Ren; Xinhai, Xu

2014-01-01

Computational fluid dynamics (CFD) simulation often needs to periodically output intermediate results to files in the form of snapshots for visualization or restart, which seriously impacts the performance. In this paper, we present asynchronous pipeline I/O (AP-IO) optimization scheme for the periodically snapshot output on the basis of asynchronous I/O and CFD application characteristics. In AP-IO, dedicated background I/O processes or threads are in charge of handling the file write in pipeline mode, therefore the write overhead can be hidden with more calculation than classic asynchronous I/O. We design the framework of AP-IO and implement it in OpenFOAM, providing CFD users with a user-friendly interface. Experimental results on the Tianhe-2 supercomputer demonstrate that AP-IO can achieve a good optimization effect for the periodical snapshot output in CFD application, and the effect is especially better for massively parallel CFD simulations, which can reduce the total execution time up to about 40%.

AP-IO: Asynchronous Pipeline I/O for Hiding Periodic Output Cost in CFD Simulation

PubMed Central

Xiaoguang, Ren; Xinhai, Xu

2014-01-01

Computational fluid dynamics (CFD) simulation often needs to periodically output intermediate results to files in the form of snapshots for visualization or restart, which seriously impacts the performance. In this paper, we present asynchronous pipeline I/O (AP-IO) optimization scheme for the periodically snapshot output on the basis of asynchronous I/O and CFD application characteristics. In AP-IO, dedicated background I/O processes or threads are in charge of handling the file write in pipeline mode, therefore the write overhead can be hidden with more calculation than classic asynchronous I/O. We design the framework of AP-IO and implement it in OpenFOAM, providing CFD users with a user-friendly interface. Experimental results on the Tianhe-2 supercomputer demonstrate that AP-IO can achieve a good optimization effect for the periodical snapshot output in CFD application, and the effect is especially better for massively parallel CFD simulations, which can reduce the total execution time up to about 40%. PMID:24955390

NSF Commits to Supercomputers.

ERIC Educational Resources Information Center

Waldrop, M. Mitchell

1985-01-01

The National Science Foundation (NSF) has allocated at least $200 million over the next five years to support four new supercomputer centers. Issues and trends related to this NSF initiative are examined. (JN)

DelPhi webserver: Comprehensive suite for electrostatic calculations of biological macromolecules and their complexes

NASA Astrophysics Data System (ADS)

Witham, Shawn; Boylen, Brett; Owesen, Barr; Rocchia, Walter; Alexov, Emil

2011-03-01

Electrostatic forces and energies are two of the major components that contribute to the stability, function and interaction of biological macromolecules. The calculations of the electrostatic potential distribution in such systems, which are comprised of irregularly shaped objects immersed in a water phase, is not a trivial task. In addition, an accurate model requires any missing hydrogen atoms of the corresponding structural files (Protein Data Bank, or, PDB files) to be generated in silico and, if necessary, missing atoms or residues to be predicted as well. Here we report a comprehensive suite, an academic DelPhi webserver, which allows the users to upload their structural file, calculate the components of the electrostatic energy, generate the corresponding potential (and/or concentration/dielectric constant) distribution map, and choose the appropriate force field. The webserver utilizes modern technology to take user input and construct an algorithm that suits the users specific needs. The webserver uses Clemson University's Palmetto Supercomputer Cluster to handle the DelPhi calculations, which can range anywhere from small and short computation times, to extensive and computationally demanding runtimes. The work was supported by a grant from NIGMS, NIH, grant number 1R01GM093937-01.

Development of Web Interfaces for Analysis Codes

NASA Astrophysics Data System (ADS)

Emoto, M.; Watanabe, T.; Funaba, H.; Murakami, S.; Nagayama, Y.; Kawahata, K.

Several codes have been developed to analyze plasma physics. However, most of them are developed to run on supercomputers. Therefore, users who typically use personal computers (PCs) find it difficult to use these codes. In order to facilitate the widespread use of these codes, a user-friendly interface is required. The authors propose Web interfaces for these codes. To demonstrate the usefulness of this approach, the authors developed Web interfaces for two analysis codes. One of them is for FIT developed by Murakami. This code is used to analyze the NBI heat deposition, etc. Because it requires electron density profiles, electron temperatures, and ion temperatures as polynomial expressions, those unfamiliar with the experiments find it difficult to use this code, especially visitors from other institutes. The second one is for visualizing the lines of force in the LHD (large helical device) developed by Watanabe. This code is used to analyze the interference caused by the lines of force resulting from the various structures installed in the vacuum vessel of the LHD. This code runs on PCs; however, it requires that the necessary parameters be edited manually. Using these Web interfaces, users can execute these codes interactively.

Mira: Argonne's 10-petaflops supercomputer

ScienceCinema

Papka, Michael; Coghlan, Susan; Isaacs, Eric; Peters, Mark; Messina, Paul

2018-02-13

Mira, Argonne's petascale IBM Blue Gene/Q system, ushers in a new era of scientific supercomputing at the Argonne Leadership Computing Facility. An engineering marvel, the 10-petaflops supercomputer is capable of carrying out 10 quadrillion calculations per second. As a machine for open science, any researcher with a question that requires large-scale computing resources can submit a proposal for time on Mira, typically in allocations of millions of core-hours, to run programs for their experiments. This adds up to billions of hours of computing time per year.

Mira: Argonne's 10-petaflops supercomputer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Papka, Michael; Coghlan, Susan; Isaacs, Eric

2013-07-03

Mira, Argonne's petascale IBM Blue Gene/Q system, ushers in a new era of scientific supercomputing at the Argonne Leadership Computing Facility. An engineering marvel, the 10-petaflops supercomputer is capable of carrying out 10 quadrillion calculations per second. As a machine for open science, any researcher with a question that requires large-scale computing resources can submit a proposal for time on Mira, typically in allocations of millions of core-hours, to run programs for their experiments. This adds up to billions of hours of computing time per year.

A high level language for a high performance computer

NASA Technical Reports Server (NTRS)

Perrott, R. H.

1978-01-01

The proposed computational aerodynamic facility will join the ranks of the supercomputers due to its architecture and increased execution speed. At present, the languages used to program these supercomputers have been modifications of programming languages which were designed many years ago for sequential machines. A new programming language should be developed based on the techniques which have proved valuable for sequential programming languages and incorporating the algorithmic techniques required for these supercomputers. The design objectives for such a language are outlined.

Floating point arithmetic in future supercomputers

NASA Technical Reports Server (NTRS)

Bailey, David H.; Barton, John T.; Simon, Horst D.; Fouts, Martin J.

1989-01-01

Considerations in the floating-point design of a supercomputer are discussed. Particular attention is given to word size, hardware support for extended precision, format, and accuracy characteristics. These issues are discussed from the perspective of the Numerical Aerodynamic Simulation Systems Division at NASA Ames. The features believed to be most important for a future supercomputer floating-point design include: (1) a 64-bit IEEE floating-point format with 11 exponent bits, 52 mantissa bits, and one sign bit and (2) hardware support for reasonably fast double-precision arithmetic.

Integration of Panda Workload Management System with supercomputers

NASA Astrophysics Data System (ADS)

De, K.; Jha, S.; Klimentov, A.; Maeno, T.; Mashinistov, R.; Nilsson, P.; Novikov, A.; Oleynik, D.; Panitkin, S.; Poyda, A.; Read, K. F.; Ryabinkin, E.; Teslyuk, A.; Velikhov, V.; Wells, J. C.; Wenaus, T.

2016-09-01

The Large Hadron Collider (LHC), operating at the international CERN Laboratory in Geneva, Switzerland, is leading Big Data driven scientific explorations. Experiments at the LHC explore the fundamental nature of matter and the basic forces that shape our universe, and were recently credited for the discovery of a Higgs boson. ATLAS, one of the largest collaborations ever assembled in the sciences, is at the forefront of research at the LHC. To address an unprecedented multi-petabyte data processing challenge, the ATLAS experiment is relying on a heterogeneous distributed computational infrastructure. The ATLAS experiment uses PanDA (Production and Data Analysis) Workload Management System for managing the workflow for all data processing on over 140 data centers. Through PanDA, ATLAS physicists see a single computing facility that enables rapid scientific breakthroughs for the experiment, even though the data centers are physically scattered all over the world. While PanDA currently uses more than 250000 cores with a peak performance of 0.3+ petaFLOPS, next LHC data taking runs will require more resources than Grid computing can possibly provide. To alleviate these challenges, LHC experiments are engaged in an ambitious program to expand the current computing model to include additional resources such as the opportunistic use of supercomputers. We will describe a project aimed at integration of PanDA WMS with supercomputers in United States, Europe and Russia (in particular with Titan supercomputer at Oak Ridge Leadership Computing Facility (OLCF), Supercomputer at the National Research Center "Kurchatov Institute", IT4 in Ostrava, and others). The current approach utilizes a modified PanDA pilot framework for job submission to the supercomputers batch queues and local data management, with light-weight MPI wrappers to run singlethreaded workloads in parallel on Titan's multi-core worker nodes. This implementation was tested with a variety of Monte-Carlo workloads on several supercomputing platforms. We will present our current accomplishments in running PanDA WMS at supercomputers and demonstrate our ability to use PanDA as a portal independent of the computing facility's infrastructure for High Energy and Nuclear Physics, as well as other data-intensive science applications, such as bioinformatics and astro-particle physics.

Job Management Requirements for NAS Parallel Systems and Clusters

NASA Technical Reports Server (NTRS)

Saphir, William; Tanner, Leigh Ann; Traversat, Bernard

1995-01-01

A job management system is a critical component of a production supercomputing environment, permitting oversubscribed resources to be shared fairly and efficiently. Job management systems that were originally designed for traditional vector supercomputers are not appropriate for the distributed-memory parallel supercomputers that are becoming increasingly important in the high performance computing industry. Newer job management systems offer new functionality but do not solve fundamental problems. We address some of the main issues in resource allocation and job scheduling we have encountered on two parallel computers - a 160-node IBM SP2 and a cluster of 20 high performance workstations located at the Numerical Aerodynamic Simulation facility. We describe the requirements for resource allocation and job management that are necessary to provide a production supercomputing environment on these machines, prioritizing according to difficulty and importance, and advocating a return to fundamental issues.

Heuristic Scheduling in Grid Environments: Reducing the Operational Energy Demand

NASA Astrophysics Data System (ADS)

Bodenstein, Christian

In a world where more and more businesses seem to trade in an online market, the supply of online services to the ever-growing demand could quickly reach its capacity limits. Online service providers may find themselves maxed out at peak operation levels during high-traffic timeslots but too little demand during low-traffic timeslots, although the latter is becoming less frequent. At this point deciding which user is allocated what level of service becomes essential. The concept of Grid computing could offer a meaningful alternative to conventional super-computing centres. Not only can Grids reach the same computing speeds as some of the fastest supercomputers, but distributed computing harbors a great energy-saving potential. When scheduling projects in such a Grid environment however, simply assigning one process to a system becomes so complex in calculation that schedules are often too late to execute, rendering their optimizations useless. Current schedulers attempt to maximize the utility, given some sort of constraint, often reverting to heuristics. This optimization often comes at the cost of environmental impact, in this case CO 2 emissions. This work proposes an alternate model of energy efficient scheduling while keeping a respectable amount of economic incentives untouched. Using this model, it is possible to reduce the total energy consumed by a Grid environment using 'just-in-time' flowtime management, paired with ranking nodes by efficiency.

MOD Tool (Microwave Optics Design Tool)

NASA Technical Reports Server (NTRS)

Katz, Daniel S.; Borgioli, Andrea; Cwik, Tom; Fu, Chuigang; Imbriale, William A.; Jamnejad, Vahraz; Springer, Paul L.

1999-01-01

The Jet Propulsion Laboratory (JPL) is currently designing and building a number of instruments that operate in the microwave and millimeter-wave bands. These include MIRO (Microwave Instrument for the Rosetta Orbiter), MLS (Microwave Limb Sounder), and IMAS (Integrated Multispectral Atmospheric Sounder). These instruments must be designed and built to meet key design criteria (e.g., beamwidth, gain, pointing) obtained from the scientific goals for the instrument. These criteria are frequently functions of the operating environment (both thermal and mechanical). To design and build instruments which meet these criteria, it is essential to be able to model the instrument in its environments. Currently, a number of modeling tools exist. Commonly used tools at JPL include: FEMAP (meshing), NASTRAN (structural modeling), TRASYS and SINDA (thermal modeling), MACOS/IMOS (optical modeling), and POPO (physical optics modeling). Each of these tools is used by an analyst, who models the instrument in one discipline. The analyst then provides the results of this modeling to another analyst, who continues the overall modeling in another discipline. There is a large reengineering task in place at JPL to automate and speed-up the structural and thermal modeling disciplines, which does not include MOD Tool. The focus of MOD Tool (and of this paper) is in the fields unique to microwave and millimeter-wave instrument design. These include initial design and analysis of the instrument without thermal or structural loads, the automation of the transfer of this design to a high-end CAD tool, and the analysis of the structurally deformed instrument (due to structural and/or thermal loads). MOD Tool is a distributed tool, with a database of design information residing on a server, physical optics analysis being performed on a variety of supercomputer platforms, and a graphical user interface (GUI) residing on the user's desktop computer. The MOD Tool client is being developed using Tcl/Tk, which allows the user to work on a choice of platforms (PC, Mac, or Unix) after downloading the Tcl/Tk binary, which is readily available on the web. The MOD Tool server is written using Expect, and it resides on a Sun workstation. Client/server communications are performed over a socket, where upon a connection from a client to the server, the server spawns a child which is be dedicated to communicating with that client. The server communicates with other machines, such as supercomputers using Expect with the username and password being provided by the user on the client.

Argonne Leadership Computing Facility 2011 annual report : Shaping future supercomputing.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Papka, M.; Messina, P.; Coffey, R.

The ALCF's Early Science Program aims to prepare key applications for the architecture and scale of Mira and to solidify libraries and infrastructure that will pave the way for other future production applications. Two billion core-hours have been allocated to 16 Early Science projects on Mira. The projects, in addition to promising delivery of exciting new science, are all based on state-of-the-art, petascale, parallel applications. The project teams, in collaboration with ALCF staff and IBM, have undertaken intensive efforts to adapt their software to take advantage of Mira's Blue Gene/Q architecture, which, in a number of ways, is a precursormore » to future high-performance-computing architecture. The Argonne Leadership Computing Facility (ALCF) enables transformative science that solves some of the most difficult challenges in biology, chemistry, energy, climate, materials, physics, and other scientific realms. Users partnering with ALCF staff have reached research milestones previously unattainable, due to the ALCF's world-class supercomputing resources and expertise in computation science. In 2011, the ALCF's commitment to providing outstanding science and leadership-class resources was honored with several prestigious awards. Research on multiscale brain blood flow simulations was named a Gordon Bell Prize finalist. Intrepid, the ALCF's BG/P system, ranked No. 1 on the Graph 500 list for the second consecutive year. The next-generation BG/Q prototype again topped the Green500 list. Skilled experts at the ALCF enable researchers to conduct breakthrough science on the Blue Gene system in key ways. The Catalyst Team matches project PIs with experienced computational scientists to maximize and accelerate research in their specific scientific domains. The Performance Engineering Team facilitates the effective use of applications on the Blue Gene system by assessing and improving the algorithms used by applications and the techniques used to implement those algorithms. The Data Analytics and Visualization Team lends expertise in tools and methods for high-performance, post-processing of large datasets, interactive data exploration, batch visualization, and production visualization. The Operations Team ensures that system hardware and software work reliably and optimally; system tools are matched to the unique system architectures and scale of ALCF resources; the entire system software stack works smoothly together; and I/O performance issues, bug fixes, and requests for system software are addressed. The User Services and Outreach Team offers frontline services and support to existing and potential ALCF users. The team also provides marketing and outreach to users, DOE, and the broader community.« less

Approaching the exa-scale: a real-world evaluation of rendering extremely large data sets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patchett, John M; Ahrens, James P; Lo, Li - Ta

2010-10-15

Extremely large scale analysis is becoming increasingly important as supercomputers and their simulations move from petascale to exascale. The lack of dedicated hardware acceleration for rendering on today's supercomputing platforms motivates our detailed evaluation of the possibility of interactive rendering on the supercomputer. In order to facilitate our understanding of rendering on the supercomputing platform, we focus on scalability of rendering algorithms and architecture envisioned for exascale datasets. To understand tradeoffs for dealing with extremely large datasets, we compare three different rendering algorithms for large polygonal data: software based ray tracing, software based rasterization and hardware accelerated rasterization. We presentmore » a case study of strong and weak scaling of rendering extremely large data on both GPU and CPU based parallel supercomputers using Para View, a parallel visualization tool. Wc use three different data sets: two synthetic and one from a scientific application. At an extreme scale, algorithmic rendering choices make a difference and should be considered while approaching exascale computing, visualization, and analysis. We find software based ray-tracing offers a viable approach for scalable rendering of the projected future massive data sizes.« less

Supercomputing Drives Innovation - Continuum Magazine | NREL

Science.gov Websites

years, NREL scientists have used supercomputers to simulate 3D models of the primary enzymes and Scientist, discuss a 3D model of wind plant aerodynamics, showing low velocity wakes and impact on

Cielo Computational Environment Usage Model With Mappings to ACE Requirements for the General Availability User Environment Capabilities Release Version 1.1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vigil,Benny Manuel; Ballance, Robert; Haskell, Karen

Cielo is a massively parallel supercomputer funded by the DOE/NNSA Advanced Simulation and Computing (ASC) program, and operated by the Alliance for Computing at Extreme Scale (ACES), a partnership between Los Alamos National Laboratory (LANL) and Sandia National Laboratories (SNL). The primary Cielo compute platform is physically located at Los Alamos National Laboratory. This Cielo Computational Environment Usage Model documents the capabilities and the environment to be provided for the Q1 FY12 Level 2 Cielo Capability Computing (CCC) Platform Production Readiness Milestone. This document describes specific capabilities, tools, and procedures to support both local and remote users. The model ismore » focused on the needs of the ASC user working in the secure computing environments at Lawrence Livermore National Laboratory (LLNL), Los Alamos National Laboratory, or Sandia National Laboratories, but also addresses the needs of users working in the unclassified environment. The Cielo Computational Environment Usage Model maps the provided capabilities to the tri-Lab ASC Computing Environment (ACE) Version 8.0 requirements. The ACE requirements reflect the high performance computing requirements for the Production Readiness Milestone user environment capabilities of the ASC community. A description of ACE requirements met, and those requirements that are not met, are included in each section of this document. The Cielo Computing Environment, along with the ACE mappings, has been issued and reviewed throughout the tri-Lab community.« less

Development of a Cloud Resolving Model for Heterogeneous Supercomputers

NASA Astrophysics Data System (ADS)

Sreepathi, S.; Norman, M. R.; Pal, A.; Hannah, W.; Ponder, C.

2017-12-01

A cloud resolving climate model is needed to reduce major systematic errors in climate simulations due to structural uncertainty in numerical treatments of convection - such as convective storm systems. This research describes the porting effort to enable SAM (System for Atmosphere Modeling) cloud resolving model on heterogeneous supercomputers using GPUs (Graphical Processing Units). We have isolated a standalone configuration of SAM that is targeted to be integrated into the DOE ACME (Accelerated Climate Modeling for Energy) Earth System model. We have identified key computational kernels from the model and offloaded them to a GPU using the OpenACC programming model. Furthermore, we are investigating various optimization strategies intended to enhance GPU utilization including loop fusion/fission, coalesced data access and loop refactoring to a higher abstraction level. We will present early performance results, lessons learned as well as optimization strategies. The computational platform used in this study is the Summitdev system, an early testbed that is one generation removed from Summit, the next leadership class supercomputer at Oak Ridge National Laboratory. The system contains 54 nodes wherein each node has 2 IBM POWER8 CPUs and 4 NVIDIA Tesla P100 GPUs. This work is part of a larger project, ACME-MMF component of the U.S. Department of Energy(DOE) Exascale Computing Project. The ACME-MMF approach addresses structural uncertainty in cloud processes by replacing traditional parameterizations with cloud resolving "superparameterization" within each grid cell of global climate model. Super-parameterization dramatically increases arithmetic intensity, making the MMF approach an ideal strategy to achieve good performance on emerging exascale computing architectures. The goal of the project is to integrate superparameterization into ACME, and explore its full potential to scientifically and computationally advance climate simulation and prediction.

Exploiting Thread Parallelism for Ocean Modeling on Cray XC Supercomputers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarje, Abhinav; Jacobsen, Douglas W.; Williams, Samuel W.

The incorporation of increasing core counts in modern processors used to build state-of-the-art supercomputers is driving application development towards exploitation of thread parallelism, in addition to distributed memory parallelism, with the goal of delivering efficient high-performance codes. In this work we describe the exploitation of threading and our experiences with it with respect to a real-world ocean modeling application code, MPAS-Ocean. We present detailed performance analysis and comparisons of various approaches and configurations for threading on the Cray XC series supercomputers.

A mass storage system for supercomputers based on Unix

NASA Technical Reports Server (NTRS)

Richards, J.; Kummell, T.; Zarlengo, D. G.

1988-01-01

The authors present the design, implementation, and utilization of a large mass storage subsystem (MSS) for the numerical aerodynamics simulation. The MSS supports a large networked, multivendor Unix-based supercomputing facility. The MSS at Ames Research Center provides all processors on the numerical aerodynamics system processing network, from workstations to supercomputers, the ability to store large amounts of data in a highly accessible, long-term repository. The MSS uses Unix System V and is capable of storing hundreds of thousands of files ranging from a few bytes to 2 Gb in size.

Supercomputer algorithms for efficient linear octree encoding of three-dimensional brain images.

PubMed

Berger, S B; Reis, D J

1995-02-01

We designed and implemented algorithms for three-dimensional (3-D) reconstruction of brain images from serial sections using two important supercomputer architectures, vector and parallel. These architectures were represented by the Cray YMP and Connection Machine CM-2, respectively. The programs operated on linear octree representations of the brain data sets, and achieved 500-800 times acceleration when compared with a conventional laboratory workstation. As the need for higher resolution data sets increases, supercomputer algorithms may offer a means of performing 3-D reconstruction well above current experimental limits.

Intelligent supercomputers: the Japanese computer sputnik

DOE Office of Scientific and Technical Information (OSTI.GOV)

Walter, G.

1983-11-01

Japan's government-supported fifth-generation computer project has had a pronounced effect on the American computer and information systems industry. The US firms are intensifying their research on and production of intelligent supercomputers, a combination of computer architecture and artificial intelligence software programs. While the present generation of computers is built for the processing of numbers, the new supercomputers will be designed specifically for the solution of symbolic problems and the use of artificial intelligence software. This article discusses new and exciting developments that will increase computer capabilities in the 1990s. 4 references.

A Science Cloud: OneSpaceNet

NASA Astrophysics Data System (ADS)

Morikawa, Y.; Murata, K. T.; Watari, S.; Kato, H.; Yamamoto, K.; Inoue, S.; Tsubouchi, K.; Fukazawa, K.; Kimura, E.; Tatebe, O.; Shimojo, S.

2010-12-01

Main methodologies of Solar-Terrestrial Physics (STP) so far are theoretical, experimental and observational, and computer simulation approaches. Recently "informatics" is expected as a new (fourth) approach to the STP studies. Informatics is a methodology to analyze large-scale data (observation data and computer simulation data) to obtain new findings using a variety of data processing techniques. At NICT (National Institute of Information and Communications Technology, Japan) we are now developing a new research environment named "OneSpaceNet". The OneSpaceNet is a cloud-computing environment specialized for science works, which connects many researchers with high-speed network (JGN: Japan Gigabit Network). The JGN is a wide-area back-born network operated by NICT; it provides 10G network and many access points (AP) over Japan. The OneSpaceNet also provides with rich computer resources for research studies, such as super-computers, large-scale data storage area, licensed applications, visualization devices (like tiled display wall: TDW), database/DBMS, cluster computers (4-8 nodes) for data processing and communication devices. What is amazing in use of the science cloud is that a user simply prepares a terminal (low-cost PC). Once connecting the PC to JGN2plus, the user can make full use of the rich resources of the science cloud. Using communication devices, such as video-conference system, streaming and reflector servers, and media-players, the users on the OneSpaceNet can make research communications as if they belong to a same (one) laboratory: they are members of a virtual laboratory. The specification of the computer resources on the OneSpaceNet is as follows: The size of data storage we have developed so far is almost 1PB. The number of the data files managed on the cloud storage is getting larger and now more than 40,000,000. What is notable is that the disks forming the large-scale storage are distributed to 5 data centers over Japan (but the storage system performs as one disk). There are three supercomputers allocated on the cloud, one from Tokyo, one from Osaka and the other from Nagoya. One's simulation job data on any supercomputers are saved on the cloud data storage (same directory); it is a kind of virtual computing environment. The tiled display wall has 36 panels acting as one display; the pixel (resolution) size of it is as large as 18000x4300. This size is enough to preview or analyze the large-scale computer simulation data. It also allows us to take a look of multiple (e.g., 100 pictures) on one screen together with many researchers. In our talk we also present a brief report of the initial results using the OneSpaceNet for Global MHD simulations as an example of successful use of our science cloud; (i) Ultra-high time resolution visualization of Global MHD simulations on the large-scale storage and parallel processing system on the cloud, (ii) Database of real-time Global MHD simulation and statistic analyses of the data, and (iii) 3D Web service of Global MHD simulations.

Introducing Mira, Argonne's Next-Generation Supercomputer

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

2013-03-19

Mira, the new petascale IBM Blue Gene/Q system installed at the ALCF, will usher in a new era of scientific supercomputing. An engineering marvel, the 10-petaflops machine is capable of carrying out 10 quadrillion calculations per second.

Green Supercomputing at Argonne

ScienceCinema

Pete Beckman

2017-12-09

Pete Beckman, head of Argonne's Leadership Computing Facility (ALCF) talks about Argonne National Laboratory's green supercomputing—everything from designing algorithms to use fewer kilowatts per operation to using cold Chicago winter air to cool the machine more efficiently.

TOP500 Supercomputers for June 2003

DOE Office of Scientific and Technical Information (OSTI.GOV)

Strohmaier, Erich; Meuer, Hans W.; Dongarra, Jack

2003-06-23

21st Edition of TOP500 List of World's Fastest Supercomputers Released MANNHEIM, Germany; KNOXVILLE, Tenn.;&BERKELEY, Calif. In what has become a much-anticipated event in the world of high-performance computing, the 21st edition of the TOP500 list of the world's fastest supercomputers was released today (June 23, 2003). The Earth Simulator supercomputer built by NEC and installed last year at the Earth Simulator Center in Yokohama, Japan, with its Linpack benchmark performance of 35.86 Tflop/s (teraflops or trillions of calculations per second), retains the number one position. The number 2 position is held by the re-measured ASCI Q system at Los Alamosmore » National Laboratory. With 13.88 Tflop/s, it is the second system ever to exceed the 10 Tflop/smark. ASCIQ was built by Hewlett-Packard and is based on the AlphaServerSC computer system.« less

Characterizing output bottlenecks in a supercomputer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie, Bing; Chase, Jeffrey; Dillow, David A

2012-01-01

Supercomputer I/O loads are often dominated by writes. HPC (High Performance Computing) file systems are designed to absorb these bursty outputs at high bandwidth through massive parallelism. However, the delivered write bandwidth often falls well below the peak. This paper characterizes the data absorption behavior of a center-wide shared Lustre parallel file system on the Jaguar supercomputer. We use a statistical methodology to address the challenges of accurately measuring a shared machine under production load and to obtain the distribution of bandwidth across samples of compute nodes, storage targets, and time intervals. We observe and quantify limitations from competing traffic,more » contention on storage servers and I/O routers, concurrency limitations in the client compute node operating systems, and the impact of variance (stragglers) on coupled output such as striping. We then examine the implications of our results for application performance and the design of I/O middleware systems on shared supercomputers.« less

Black Hole Simulation

NASA Image and Video Library

1999-11-30

This graphic shows the computer simulation of a black hole from start to finish. Plasma is falling slowly toward the black hole in a (at the upper left). The plasma has a magnetic field, shown by the white lines. It picks up speed as it falls toward the hole in b (at the upper right), c (lower left) and d (lower right). However, the rotating black hole twists up space itself (and the magnetic field lines) and ejects electromagnetic power along the north and south poles above the black hole. The red and white color shows the immense electromagnetic power output, which eventually will pick up particles and form squirting jets. This simulation was conducted using supercomputers at Japan's National Institute for Fusion Science. http://photojournal.jpl.nasa.gov/catalog/PIA04206

A site oriented supercomputer for theoretical physics: The Fermilab Advanced Computer Program Multi Array Processor System (ACMAPS)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nash, T.; Atac, R.; Cook, A.

1989-03-06

The ACPMAPS multipocessor is a highly cost effective, local memory parallel computer with a hypercube or compound hypercube architecture. Communication requires the attention of only the two communicating nodes. The design is aimed at floating point intensive, grid like problems, particularly those with extreme computing requirements. The processing nodes of the system are single board array processors, each with a peak power of 20 Mflops, supported by 8 Mbytes of data and 2 Mbytes of instruction memory. The system currently being assembled has a peak power of 5 Gflops. The nodes are based on the Weitek XL Chip set. Themore » system delivers performance at approximately $300/Mflop. 8 refs., 4 figs.« less

A Performance Evaluation of the Cray X1 for Scientific Applications

NASA Technical Reports Server (NTRS)

Oliker, Leonid; Biswas, Rupak; Borrill, Julian; Canning, Andrew; Carter, Jonathan; Djomehri, M. Jahed; Shan, Hongzhang; Skinner, David

2004-01-01

The last decade has witnessed a rapid proliferation of superscalar cache-based microprocessors to build high-end capability and cost effectiveness. However, the recent development of massively parallel vector systems is having a significant effect on the supercomputing landscape. In this paper, we compare the performance of the recently released Cray X1 vector system with that of the cacheless NEC SX-6 vector machine, and the superscalar cache-based IBM Power3 and Power4 architectures for scientific applications. Overall results demonstrate that the X1 is quite promising, but performance improvements are expected as the hardware, systems software, and numerical libraries mature. Code reengineering to effectively utilize the complex architecture may also lead to significant efficiency enhancements.

Multi-blocking strategies for the INS3D incompressible Navier-Stokes code

NASA Technical Reports Server (NTRS)

Gatlin, Boyd

1990-01-01

With the continuing development of bigger and faster supercomputers, computational fluid dynamics (CFD) has become a useful tool for real-world engineering design and analysis. However, the number of grid points necessary to resolve realistic flow fields numerically can easily exceed the memory capacity of available computers. In addition, geometric shapes of flow fields, such as those in the Space Shuttle Main Engine (SSME) power head, may be impossible to fill with continuous grids upon which to obtain numerical solutions to the equations of fluid motion. The solution to this dilemma is simply to decompose the computational domain into subblocks of manageable size. Computer codes that are single-block by construction can be modified to handle multiple blocks, but ad-hoc changes in the FORTRAN have to be made for each geometry treated. For engineering design and analysis, what is needed is generalization so that the blocking arrangement can be specified by the user. INS3D is a computer program for the solution of steady, incompressible flow problems. It is used frequently to solve engineering problems in the CFD Branch at Marshall Space Flight Center. INS3D uses an implicit solution algorithm and the concept of artificial compressibility to provide the necessary coupling between the pressure field and the velocity field. The development of generalized multi-block capability in INS3D is described.

Molecular simulation workflows as parallel algorithms: the execution engine of Copernicus, a distributed high-performance computing platform.

PubMed

Pronk, Sander; Pouya, Iman; Lundborg, Magnus; Rotskoff, Grant; Wesén, Björn; Kasson, Peter M; Lindahl, Erik

2015-06-09

Computational chemistry and other simulation fields are critically dependent on computing resources, but few problems scale efficiently to the hundreds of thousands of processors available in current supercomputers-particularly for molecular dynamics. This has turned into a bottleneck as new hardware generations primarily provide more processing units rather than making individual units much faster, which simulation applications are addressing by increasingly focusing on sampling with algorithms such as free-energy perturbation, Markov state modeling, metadynamics, or milestoning. All these rely on combining results from multiple simulations into a single observation. They are potentially powerful approaches that aim to predict experimental observables directly, but this comes at the expense of added complexity in selecting sampling strategies and keeping track of dozens to thousands of simulations and their dependencies. Here, we describe how the distributed execution framework Copernicus allows the expression of such algorithms in generic workflows: dataflow programs. Because dataflow algorithms explicitly state dependencies of each constituent part, algorithms only need to be described on conceptual level, after which the execution is maximally parallel. The fully automated execution facilitates the optimization of these algorithms with adaptive sampling, where undersampled regions are automatically detected and targeted without user intervention. We show how several such algorithms can be formulated for computational chemistry problems, and how they are executed efficiently with many loosely coupled simulations using either distributed or parallel resources with Copernicus.

A generic implementation of replica exchange with solute tempering (REST2) algorithm in NAMD for complex biophysical simulations

NASA Astrophysics Data System (ADS)

Jo, Sunhwan; Jiang, Wei

2015-12-01

Replica Exchange with Solute Tempering (REST2) is a powerful sampling enhancement algorithm of molecular dynamics (MD) in that it needs significantly smaller number of replicas but achieves higher sampling efficiency relative to standard temperature exchange algorithm. In this paper, we extend the applicability of REST2 for quantitative biophysical simulations through a robust and generic implementation in greatly scalable MD software NAMD. The rescaling procedure of force field parameters controlling REST2 "hot region" is implemented into NAMD at the source code level. A user can conveniently select hot region through VMD and write the selection information into a PDB file. The rescaling keyword/parameter is written in NAMD Tcl script interface that enables an on-the-fly simulation parameter change. Our implementation of REST2 is within communication-enabled Tcl script built on top of Charm++, thus communication overhead of an exchange attempt is vanishingly small. Such a generic implementation facilitates seamless cooperation between REST2 and other modules of NAMD to provide enhanced sampling for complex biomolecular simulations. Three challenging applications including native REST2 simulation for peptide folding-unfolding transition, free energy perturbation/REST2 for absolute binding affinity of protein-ligand complex and umbrella sampling/REST2 Hamiltonian exchange for free energy landscape calculation were carried out on IBM Blue Gene/Q supercomputer to demonstrate efficacy of REST2 based on the present implementation.

Methodologies and Tools for Tuning Parallel Programs: 80% Art, 20% Science, and 10% Luck

NASA Technical Reports Server (NTRS)

Yan, Jerry C.; Bailey, David (Technical Monitor)

1996-01-01

The need for computing power has forced a migration from serial computation on a single processor to parallel processing on multiprocessors. However, without effective means to monitor (and analyze) program execution, tuning the performance of parallel programs becomes exponentially difficult as program complexity and machine size increase. In the past few years, the ubiquitous introduction of performance tuning tools from various supercomputer vendors (Intel's ParAide, TMC's PRISM, CRI's Apprentice, and Convex's CXtrace) seems to indicate the maturity of performance instrumentation/monitor/tuning technologies and vendors'/customers' recognition of their importance. However, a few important questions remain: What kind of performance bottlenecks can these tools detect (or correct)? How time consuming is the performance tuning process? What are some important technical issues that remain to be tackled in this area? This workshop reviews the fundamental concepts involved in analyzing and improving the performance of parallel and heterogeneous message-passing programs. Several alternative strategies will be contrasted, and for each we will describe how currently available tuning tools (e.g. AIMS, ParAide, PRISM, Apprentice, CXtrace, ATExpert, Pablo, IPS-2) can be used to facilitate the process. We will characterize the effectiveness of the tools and methodologies based on actual user experiences at NASA Ames Research Center. Finally, we will discuss their limitations and outline recent approaches taken by vendors and the research community to address them.

MultiPhyl: a high-throughput phylogenomics webserver using distributed computing

PubMed Central

Keane, Thomas M.; Naughton, Thomas J.; McInerney, James O.

2007-01-01

With the number of fully sequenced genomes increasing steadily, there is greater interest in performing large-scale phylogenomic analyses from large numbers of individual gene families. Maximum likelihood (ML) has been shown repeatedly to be one of the most accurate methods for phylogenetic construction. Recently, there have been a number of algorithmic improvements in maximum-likelihood-based tree search methods. However, it can still take a long time to analyse the evolutionary history of many gene families using a single computer. Distributed computing refers to a method of combining the computing power of multiple computers in order to perform some larger overall calculation. In this article, we present the first high-throughput implementation of a distributed phylogenetics platform, MultiPhyl, capable of using the idle computational resources of many heterogeneous non-dedicated machines to form a phylogenetics supercomputer. MultiPhyl allows a user to upload hundreds or thousands of amino acid or nucleotide alignments simultaneously and perform computationally intensive tasks such as model selection, tree searching and bootstrapping of each of the alignments using many desktop machines. The program implements a set of 88 amino acid models and 56 nucleotide maximum likelihood models and a variety of statistical methods for choosing between alternative models. A MultiPhyl webserver is available for public use at: http://www.cs.nuim.ie/distributed/multiphyl.php. PMID:17553837

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chinn, D J

This month's issue has the following articles: (1) The Edward Teller Centennial--Commentary by George H. Miller; (2) Edward Teller's Century: Celebrating the Man and His Vision--Colleagues at the Laboratory remember Edward Teller, cofounder of Lawrence Livermore, adviser to U.S. presidents, and physicist extraordinaire, on the 100th anniversary of his birth; (3) Quark Theory and Today's Supercomputers: It's a Match--Thanks to the power of BlueGene/L, Livermore has become an epicenter for theoretical advances in particle physics; and (4) The Role of Dentin in Tooth Fracture--Studies on tooth dentin show that its mechanical properties degrade with age.

How to Improve the ROK and U.S. Military Alliance Against North Korea’s Threats to Cyberspace: Lessons From NATO’s Defense Cooperation

DTIC Science & Technology

2017-12-01

For instance, when Unit 121 created a supercomputer for decryption and encryption efforts by combining imported high -end qualified computers, Kim...developed and undeveloped countries, but the cyber-attacks by North Korea can double the effect by inflaming psychological fears when combined with other...lessons that the ROK and U.S. alliance can glean from NATO’s cyber cooperation. To maintain the balance of power with the ROK, North Korea has

Advanced Computing for Manufacturing.

ERIC Educational Resources Information Center

Erisman, Albert M.; Neves, Kenneth W.

1987-01-01

Discusses ways that supercomputers are being used in the manufacturing industry, including the design and production of airplanes and automobiles. Describes problems that need to be solved in the next few years for supercomputers to assume a major role in industry. (TW)

INTEGRATION OF PANDA WORKLOAD MANAGEMENT SYSTEM WITH SUPERCOMPUTERS

DOE Office of Scientific and Technical Information (OSTI.GOV)

De, K; Jha, S; Maeno, T

Abstract The Large Hadron Collider (LHC), operating at the international CERN Laboratory in Geneva, Switzerland, is leading Big Data driven scientific explorations. Experiments at the LHC explore the funda- mental nature of matter and the basic forces that shape our universe, and were recently credited for the dis- covery of a Higgs boson. ATLAS, one of the largest collaborations ever assembled in the sciences, is at the forefront of research at the LHC. To address an unprecedented multi-petabyte data processing challenge, the ATLAS experiment is relying on a heterogeneous distributed computational infrastructure. The ATLAS experiment uses PanDA (Production and Datamore » Analysis) Workload Management System for managing the workflow for all data processing on over 140 data centers. Through PanDA, ATLAS physicists see a single computing facility that enables rapid scientific breakthroughs for the experiment, even though the data cen- ters are physically scattered all over the world. While PanDA currently uses more than 250000 cores with a peak performance of 0.3+ petaFLOPS, next LHC data taking runs will require more resources than Grid computing can possibly provide. To alleviate these challenges, LHC experiments are engaged in an ambitious program to expand the current computing model to include additional resources such as the opportunistic use of supercomputers. We will describe a project aimed at integration of PanDA WMS with supercomputers in United States, Europe and Russia (in particular with Titan supercomputer at Oak Ridge Leadership Com- puting Facility (OLCF), Supercomputer at the National Research Center Kurchatov Institute , IT4 in Ostrava, and others). The current approach utilizes a modified PanDA pilot framework for job submission to the supercomputers batch queues and local data management, with light-weight MPI wrappers to run single- threaded workloads in parallel on Titan s multi-core worker nodes. This implementation was tested with a variety of Monte-Carlo workloads on several supercomputing platforms. We will present our current accom- plishments in running PanDA WMS at supercomputers and demonstrate our ability to use PanDA as a portal independent of the computing facility s infrastructure for High Energy and Nuclear Physics, as well as other data-intensive science applications, such as bioinformatics and astro-particle physics.« less

New NAS Parallel Benchmarks Results

NASA Technical Reports Server (NTRS)

Yarrow, Maurice; Saphir, William; VanderWijngaart, Rob; Woo, Alex; Kutler, Paul (Technical Monitor)

1997-01-01

NPB2 (NAS (NASA Advanced Supercomputing) Parallel Benchmarks 2) is an implementation, based on Fortran and the MPI (message passing interface) message passing standard, of the original NAS Parallel Benchmark specifications. NPB2 programs are run with little or no tuning, in contrast to NPB vendor implementations, which are highly optimized for specific architectures. NPB2 results complement, rather than replace, NPB results. Because they have not been optimized by vendors, NPB2 implementations approximate the performance a typical user can expect for a portable parallel program on distributed memory parallel computers. Together these results provide an insightful comparison of the real-world performance of high-performance computers. New NPB2 features: New implementation (CG), new workstation class problem sizes, new serial sample versions, more performance statistics.

Final Report for File System Support for Burst Buffers on HPC Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, W.; Mohror, K.

Distributed burst buffers are a promising storage architecture for handling I/O workloads for exascale computing. As they are being deployed on more supercomputers, a file system that efficiently manages these burst buffers for fast I/O operations carries great consequence. Over the past year, FSU team has undertaken several efforts to design, prototype and evaluate distributed file systems for burst buffers on HPC systems. These include MetaKV: a Key-Value Store for Metadata Management of Distributed Burst Buffers, a user-level file system with multiple backends, and a specialized file system for large datasets of deep neural networks. Our progress for these respectivemore » efforts are elaborated further in this report.« less

Replica Exchange Molecular Dynamics in the Age of Heterogeneous Architectures

NASA Astrophysics Data System (ADS)

Roitberg, Adrian

2014-03-01

The rise of GPU-based codes has allowed MD to reach timescales only dreamed of only 5 years ago. Even within this new paradigm there is still need for advanced sampling techniques. Modern supercomputers (e.g. Blue Waters, Titan, Keeneland) have made available to users a significant number of GPUS and CPUS, which in turn translate into amazing opportunities for dream calculations. Replica-exchange based methods can optimally use tis combination of codes and architectures to explore conformational variabilities in large systems. I will show our recent work in porting the program Amber to GPUS, and the support for replica exchange methods, where the replicated dimension could be Temperature, pH, Hamiltonian, Umbrella windows and combinations of those schemes.

Compiler-based code generation and autotuning for geometric multigrid on GPU-accelerated supercomputers

DOE PAGES

Basu, Protonu; Williams, Samuel; Van Straalen, Brian; ...

2017-04-05

GPUs, with their high bandwidths and computational capabilities are an increasingly popular target for scientific computing. Unfortunately, to date, harnessing the power of the GPU has required use of a GPU-specific programming model like CUDA, OpenCL, or OpenACC. Thus, in order to deliver portability across CPU-based and GPU-accelerated supercomputers, programmers are forced to write and maintain two versions of their applications or frameworks. In this paper, we explore the use of a compiler-based autotuning framework based on CUDA-CHiLL to deliver not only portability, but also performance portability across CPU- and GPU-accelerated platforms for the geometric multigrid linear solvers found inmore » many scientific applications. We also show that with autotuning we can attain near Roofline (a performance bound for a computation and target architecture) performance across the key operations in the miniGMG benchmark for both CPU- and GPU-based architectures as well as for a multiple stencil discretizations and smoothers. We show that our technology is readily interoperable with MPI resulting in performance at scale equal to that obtained via hand-optimized MPI+CUDA implementation.« less

Computational chemistry

NASA Technical Reports Server (NTRS)

Arnold, J. O.

1987-01-01

With the advent of supercomputers, modern computational chemistry algorithms and codes, a powerful tool was created to help fill NASA's continuing need for information on the properties of matter in hostile or unusual environments. Computational resources provided under the National Aerodynamics Simulator (NAS) program were a cornerstone for recent advancements in this field. Properties of gases, materials, and their interactions can be determined from solutions of the governing equations. In the case of gases, for example, radiative transition probabilites per particle, bond-dissociation energies, and rates of simple chemical reactions can be determined computationally as reliably as from experiment. The data are proving to be quite valuable in providing inputs to real-gas flow simulation codes used to compute aerothermodynamic loads on NASA's aeroassist orbital transfer vehicles and a host of problems related to the National Aerospace Plane Program. Although more approximate, similar solutions can be obtained for ensembles of atoms simulating small particles of materials with and without the presence of gases. Computational chemistry has application in studying catalysis, properties of polymers, all of interest to various NASA missions, including those previously mentioned. In addition to discussing these applications of computational chemistry within NASA, the governing equations and the need for supercomputers for their solution is outlined.

Energy consumption optimization of the total-FETI solver by changing the CPU frequency

NASA Astrophysics Data System (ADS)

Horak, David; Riha, Lubomir; Sojka, Radim; Kruzik, Jakub; Beseda, Martin; Cermak, Martin; Schuchart, Joseph

2017-07-01

The energy consumption of supercomputers is one of the critical problems for the upcoming Exascale supercomputing era. The awareness of power and energy consumption is required on both software and hardware side. This paper deals with the energy consumption evaluation of the Finite Element Tearing and Interconnect (FETI) based solvers of linear systems, which is an established method for solving real-world engineering problems. We have evaluated the effect of the CPU frequency on the energy consumption of the FETI solver using a linear elasticity 3D cube synthetic benchmark. In this problem, we have evaluated the effect of frequency tuning on the energy consumption of the essential processing kernels of the FETI method. The paper provides results for two types of frequency tuning: (1) static tuning and (2) dynamic tuning. For static tuning experiments, the frequency is set before execution and kept constant during the runtime. For dynamic tuning, the frequency is changed during the program execution to adapt the system to the actual needs of the application. The paper shows that static tuning brings up 12% energy savings when compared to default CPU settings (the highest clock rate). The dynamic tuning improves this further by up to 3%.

Compiler-based code generation and autotuning for geometric multigrid on GPU-accelerated supercomputers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Basu, Protonu; Williams, Samuel; Van Straalen, Brian

GPUs, with their high bandwidths and computational capabilities are an increasingly popular target for scientific computing. Unfortunately, to date, harnessing the power of the GPU has required use of a GPU-specific programming model like CUDA, OpenCL, or OpenACC. Thus, in order to deliver portability across CPU-based and GPU-accelerated supercomputers, programmers are forced to write and maintain two versions of their applications or frameworks. In this paper, we explore the use of a compiler-based autotuning framework based on CUDA-CHiLL to deliver not only portability, but also performance portability across CPU- and GPU-accelerated platforms for the geometric multigrid linear solvers found inmore » many scientific applications. We also show that with autotuning we can attain near Roofline (a performance bound for a computation and target architecture) performance across the key operations in the miniGMG benchmark for both CPU- and GPU-based architectures as well as for a multiple stencil discretizations and smoothers. We show that our technology is readily interoperable with MPI resulting in performance at scale equal to that obtained via hand-optimized MPI+CUDA implementation.« less

Supercomputers Join the Fight against Cancer – U.S. Department of Energy

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

The Department of Energy has some of the best supercomputers in the world. Now, they’re joining the fight against cancer. Learn about our new partnership with the National Cancer Institute and GlaxoSmithKline Pharmaceuticals.

NAS-current status and future plans

NASA Technical Reports Server (NTRS)

Bailey, F. R.

1987-01-01

The Numerical Aerodynamic Simulation (NAS) has met its first major milestone, the NAS Processing System Network (NPSN) Initial Operating Configuration (IOC). The program has met its goal of providing a national supercomputer facility capable of greatly enhancing the Nation's research and development efforts. Furthermore, the program is fulfilling its pathfinder role by defining and implementing a paradigm for supercomputing system environments. The IOC is only the begining and the NAS Program will aggressively continue to develop and implement emerging supercomputer, communications, storage, and software technologies to strengthen computations as a critical element in supporting the Nation's leadership role in aeronautics.

Progress in a novel architecture for high performance processing

NASA Astrophysics Data System (ADS)

Zhang, Zhiwei; Liu, Meng; Liu, Zijun; Du, Xueliang; Xie, Shaolin; Ma, Hong; Ding, Guangxin; Ren, Weili; Zhou, Fabiao; Sun, Wenqin; Wang, Huijuan; Wang, Donglin

2018-04-01

The high performance processing (HPP) is an innovative architecture which targets on high performance computing with excellent power efficiency and computing performance. It is suitable for data intensive applications like supercomputing, machine learning and wireless communication. An example chip with four application-specific integrated circuit (ASIC) cores which is the first generation of HPP cores has been taped out successfully under Taiwan Semiconductor Manufacturing Company (TSMC) 40 nm low power process. The innovative architecture shows great energy efficiency over the traditional central processing unit (CPU) and general-purpose computing on graphics processing units (GPGPU). Compared with MaPU, HPP has made great improvement in architecture. The chip with 32 HPP cores is being developed under TSMC 16 nm field effect transistor (FFC) technology process and is planed to use commercially. The peak performance of this chip can reach 4.3 teraFLOPS (TFLOPS) and its power efficiency is up to 89.5 gigaFLOPS per watt (GFLOPS/W).

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peratt, A.L.; Mostrom, M.A.

With the availability of 80--125 MHz microprocessors, the methodology developed for the simulation of problems in pulsed power and plasma physics on modern day supercomputers is now amenable to application on a wide range of platforms including laptops and workstations. While execution speeds with these processors do not match those of large scale computing machines, resources such as computer-aided-design (CAD) and graphical analysis codes are available to automate simulation setup and process data. This paper reports on the adaptation of IVORY, a three-dimensional, fully-electromagnetic, particle-in-cell simulation code, to this platform independent CAD environment. The primary purpose of this talk ismore » to demonstrate how rapidly a pulsed power/plasma problem can be scoped out by an experimenter on a dedicated workstation. Demonstrations include a magnetically insulated transmission line, power flow in a graded insulator stack, a relativistic klystron oscillator, and the dynamics of a coaxial thruster for space applications.« less

Research on trading patterns of large users' direct power purchase considering consumption of clean energy

NASA Astrophysics Data System (ADS)

Guojun, He; Lin, Guo; Zhicheng, Yu; Xiaojun, Zhu; Lei, Wang; Zhiqiang, Zhao

2017-03-01

In order to reduce the stochastic volatility of supply and demand, and maintain the electric power system's stability after large scale stochastic renewable energy sources connected to grid, the development and consumption should be promoted by marketing means. Bilateral contract transaction model of large users' direct power purchase conforms to the actual situation of our country. Trading pattern of large users' direct power purchase is analyzed in this paper, characteristics of each power generation are summed up, and centralized matching mode is mainly introduced. Through the establishment of power generation enterprises' priority evaluation index system and the analysis of power generation enterprises' priority based on fuzzy clustering, the sorting method of power generation enterprises' priority in trading patterns of large users' direct power purchase is put forward. Suggestions for trading mechanism of large users' direct power purchase are offered by this method, which is good for expand the promotion of large users' direct power purchase further.

Roadrunner Supercomputer Breaks the Petaflop Barrier

ScienceCinema

Los Alamos National Lab - Brian Albright, Charlie McMillan, Lin Yin

2017-12-09

At 3:30 a.m. on May 26, 2008, Memorial Day, the "Roadrunner" supercomputer exceeded a sustained speed of 1 petaflop/s, or 1 million billion calculations per second. The sustained performance makes Roadrunner more than twice as fast as the current number 1

QCD on the BlueGene/L Supercomputer

NASA Astrophysics Data System (ADS)

Bhanot, G.; Chen, D.; Gara, A.; Sexton, J.; Vranas, P.

2005-03-01

In June 2004 QCD was simulated for the first time at sustained speed exceeding 1 TeraFlops in the BlueGene/L supercomputer at the IBM T.J. Watson Research Lab. The implementation and performance of QCD in the BlueGene/L is presented.

Supercomputer Issues from a University Perspective.

ERIC Educational Resources Information Center

Beering, Steven C.

1984-01-01

Discusses issues related to the access of and training of university researchers in using supercomputers, considering National Science Foundation's (NSF) role in this area, microcomputers on campuses, and the limited use of existing telecommunication networks. Includes examples of potential scientific projects (by subject area) utilizing…

Terminal Area Simulation System User's Guide - Version 10.0

NASA Technical Reports Server (NTRS)

Switzer, George F.; Proctor, Fred H.

2014-01-01

The Terminal Area Simulation System (TASS) is a three-dimensional, time-dependent, large eddy simulation model that has been developed for studies of wake vortex and weather hazards to aviation, along with other atmospheric turbulence, and cloud-scale weather phenomenology. This document describes the source code for TASS version 10.0 and provides users with needed documentation to run the model. The source code is programed in Fortran language and is formulated to take advantage of vector and efficient multi-processor scaling for execution on massively-parallel supercomputer clusters. The code contains different initialization modules allowing the study of aircraft wake vortex interaction with the atmosphere and ground, atmospheric turbulence, atmospheric boundary layers, precipitating convective clouds, hail storms, gust fronts, microburst windshear, supercell and mesoscale convective systems, tornadic storms, and ring vortices. The model is able to operate in either two- or three-dimensions with equations numerically formulated on a Cartesian grid. The primary output from the TASS is time-dependent domain fields generated by the prognostic equations and diagnosed variables. This document will enable a user to understand the general logic of TASS, and will show how to configure and initialize the model domain. Also described are the formats of the input and output files, as well as the parameters that control the input and output.

Testing and Validating Gadget2 for GPUs

NASA Astrophysics Data System (ADS)

Wibking, Benjamin; Holley-Bockelmann, K.; Berlind, A. A.

2013-01-01

We are currently upgrading a version of Gadget2 (Springel et al., 2005) that is optimized for NVIDIA's CUDA GPU architecture (Frigaard, unpublished) to work with the latest libraries and graphics cards. Preliminary tests of its performance indicate a ~40x speedup in the particle force tree approximation calculation, with overall speedup of 5-10x for cosmological simulations run with GPUs compared to running on the same CPU cores without GPU acceleration. We believe this speedup can be reasonably increased by an additional factor of two with futher optimization, including overlap of computation on CPU and GPU. Tests of single-precision GPU numerical fidelity currently indicate accuracy of the mass function and the spectral power density to within a few percent of extended-precision CPU results with the unmodified form of Gadget. Additionally, we plan to test and optimize the GPU code for Millenium-scale "grand challenge" simulations of >10^9 particles, a scale that has been previously untested with this code, with the aid of the NSF XSEDE flagship GPU-based supercomputing cluster codenamed "Keeneland." Current work involves additional validation of numerical results, extending the numerical precision of the GPU calculations to double precision, and evaluating performance/accuracy tradeoffs. We believe that this project, if successful, will yield substantial computational performance benefits to the N-body research community as the next generation of GPU supercomputing resources becomes available, both increasing the electrical power efficiency of ever-larger computations (making simulations possible a decade from now at scales and resolutions unavailable today) and accelerating the pace of research in the field.

Constructing Neuronal Network Models in Massively Parallel Environments.

PubMed

Ippen, Tammo; Eppler, Jochen M; Plesser, Hans E; Diesmann, Markus

2017-01-01

Recent advances in the development of data structures to represent spiking neuron network models enable us to exploit the complete memory of petascale computers for a single brain-scale network simulation. In this work, we investigate how well we can exploit the computing power of such supercomputers for the creation of neuronal networks. Using an established benchmark, we divide the runtime of simulation code into the phase of network construction and the phase during which the dynamical state is advanced in time. We find that on multi-core compute nodes network creation scales well with process-parallel code but exhibits a prohibitively large memory consumption. Thread-parallel network creation, in contrast, exhibits speedup only up to a small number of threads but has little overhead in terms of memory. We further observe that the algorithms creating instances of model neurons and their connections scale well for networks of ten thousand neurons, but do not show the same speedup for networks of millions of neurons. Our work uncovers that the lack of scaling of thread-parallel network creation is due to inadequate memory allocation strategies and demonstrates that thread-optimized memory allocators recover excellent scaling. An analysis of the loop order used for network construction reveals that more complex tests on the locality of operations significantly improve scaling and reduce runtime by allowing construction algorithms to step through large networks more efficiently than in existing code. The combination of these techniques increases performance by an order of magnitude and harnesses the increasingly parallel compute power of the compute nodes in high-performance clusters and supercomputers.

Constructing Neuronal Network Models in Massively Parallel Environments

PubMed Central

Ippen, Tammo; Eppler, Jochen M.; Plesser, Hans E.; Diesmann, Markus

2017-01-01

Recent advances in the development of data structures to represent spiking neuron network models enable us to exploit the complete memory of petascale computers for a single brain-scale network simulation. In this work, we investigate how well we can exploit the computing power of such supercomputers for the creation of neuronal networks. Using an established benchmark, we divide the runtime of simulation code into the phase of network construction and the phase during which the dynamical state is advanced in time. We find that on multi-core compute nodes network creation scales well with process-parallel code but exhibits a prohibitively large memory consumption. Thread-parallel network creation, in contrast, exhibits speedup only up to a small number of threads but has little overhead in terms of memory. We further observe that the algorithms creating instances of model neurons and their connections scale well for networks of ten thousand neurons, but do not show the same speedup for networks of millions of neurons. Our work uncovers that the lack of scaling of thread-parallel network creation is due to inadequate memory allocation strategies and demonstrates that thread-optimized memory allocators recover excellent scaling. An analysis of the loop order used for network construction reveals that more complex tests on the locality of operations significantly improve scaling and reduce runtime by allowing construction algorithms to step through large networks more efficiently than in existing code. The combination of these techniques increases performance by an order of magnitude and harnesses the increasingly parallel compute power of the compute nodes in high-performance clusters and supercomputers. PMID:28559808

Advances and issues from the simulation of planetary magnetospheres with recent supercomputer systems

NASA Astrophysics Data System (ADS)

Fukazawa, K.; Walker, R. J.; Kimura, T.; Tsuchiya, F.; Murakami, G.; Kita, H.; Tao, C.; Murata, K. T.

2016-12-01

Planetary magnetospheres are very large, while phenomena within them occur on meso- and micro-scales. These scales range from 10s of planetary radii to kilometers. To understand dynamics in these multi-scale systems, numerical simulations have been performed by using the supercomputer systems. We have studied the magnetospheres of Earth, Jupiter and Saturn by using 3-dimensional magnetohydrodynamic (MHD) simulations for a long time, however, we have not obtained the phenomena near the limits of the MHD approximation. In particular, we have not studied meso-scale phenomena that can be addressed by using MHD.Recently we performed our MHD simulation of Earth's magnetosphere by using the K-computer which is the first 10PFlops supercomputer and obtained multi-scale flow vorticity for the both northward and southward IMF. Furthermore, we have access to supercomputer systems which have Xeon, SPARC64, and vector-type CPUs and can compare simulation results between the different systems. Finally, we have compared the results of our parameter survey of the magnetosphere with observations from the HISAKI spacecraft.We have encountered a number of difficulties effectively using the latest supercomputer systems. First the size of simulation output increases greatly. Now a simulation group produces over 1PB of output. Storage and analysis of this much data is difficult. The traditional way to analyze simulation results is to move the results to the investigator's home computer. This takes over three months using an end-to-end 10Gbps network. In reality, there are problems at some nodes such as firewalls that can increase the transfer time to over one year. Another issue is post-processing. It is hard to treat a few TB of simulation output due to the memory limitations of a post-processing computer. To overcome these issues, we have developed and introduced the parallel network storage, the highly efficient network protocol and the CUI based visualization tools.In this study, we will show the latest simulation results using the petascale supercomputer and problems from the use of these supercomputer systems.

Integration Of PanDA Workload Management System With Supercomputers for ATLAS and Data Intensive Science

NASA Astrophysics Data System (ADS)

Klimentov, A.; De, K.; Jha, S.; Maeno, T.; Nilsson, P.; Oleynik, D.; Panitkin, S.; Wells, J.; Wenaus, T.

2016-10-01

The.LHC, operating at CERN, is leading Big Data driven scientific explorations. Experiments at the LHC explore the fundamental nature of matter and the basic forces that shape our universe. ATLAS, one of the largest collaborations ever assembled in the sciences, is at the forefront of research at the LHC. To address an unprecedented multi-petabyte data processing challenge, the ATLAS experiment is relying on a heterogeneous distributed computational infrastructure. The ATLAS experiment uses PanDA (Production and Data Analysis) Workload Management System for managing the workflow for all data processing on over 150 data centers. Through PanDA, ATLAS physicists see a single computing facility that enables rapid scientific breakthroughs for the experiment, even though the data centers are physically scattered all over the world. While PanDA currently uses more than 250,000 cores with a peak performance of 0.3 petaFLOPS, LHC data taking runs require more resources than grid can possibly provide. To alleviate these challenges, LHC experiments are engaged in an ambitious program to expand the current computing model to include additional resources such as the opportunistic use of supercomputers. We will describe a project aimed at integration of PanDA WMS with supercomputers in United States, in particular with Titan supercomputer at Oak Ridge Leadership Computing Facility. Current approach utilizes modified PanDA pilot framework for job submission to the supercomputers batch queues and local data management, with light-weight MPI wrappers to run single threaded workloads in parallel on LCFs multi-core worker nodes. This implementation was tested with a variety of Monte-Carlo workloads on several supercomputing platforms for ALICE and ATLAS experiments and it is in full pro duction for the ATLAS since September 2015. We will present our current accomplishments with running PanDA at supercomputers and demonstrate our ability to use PanDA as a portal independent of the computing facilities infrastructure for High Energy and Nuclear Physics as well as other data-intensive science applications, such as bioinformatics and astro-particle physics.

New data model with better functionality for VLab

NASA Astrophysics Data System (ADS)

da Silveira, P. R.; Wentzcovitch, R. M.; Karki, B. B.

2009-12-01

The VLab infrastructure and architecture was further developed to allow for several new features. First, workflows for first principles calculations of thermodynamics properties and static elasticity programmed in Java as Web Services can now be executed by multiple users. Second, jobs generated by these workflows can now be executed in batch in multiple servers. A simple internal schedule was implemented to handle hundreds of execution packages generated by multiple users and avoid the overload on servers. Third, a new data model was implemented to guarantee integrity of a project (workflow execution) in case of failure. The latter can happen in an execution package or in a workflow phase. By recording all executed steps of a project, its execution can be resumed after dynamic alteration of parameters through the VLab Portal. Fourth, batch jobs can also be monitored through the portal. Now, better and faster interaction with servers is achieved using Ajax technology. Finally, plots are now created on the Vlab server using Gnuplot 4.2.2. Research supported by NSF grants ATM 0428774 (VLab). Vlab is hosted by the Minnesota Supercomputing Institute.

Manifest: A computer program for 2-D flow modeling in Stirling machines

NASA Technical Reports Server (NTRS)

Gedeon, David

1989-01-01

A computer program named Manifest is discussed. Manifest is a program one might want to use to model the fluid dynamics in the manifolds commonly found between the heat exchangers and regenerators of Stirling machines; but not just in the manifolds - in the regenerators as well. And in all sorts of other places too, such as: in heaters or coolers, or perhaps even in cylinder spaces. There are probably nonStirling uses for Manifest also. In broad strokes, Manifest will: (1) model oscillating internal compressible laminar fluid flow in a wide range of two-dimensional regions, either filled with porous materials or empty; (2) present a graphics-based user-friendly interface, allowing easy selection and modification of region shape and boundary condition specification; (3) run on a personal computer, or optionally (in the case of its number-crunching module) on a supercomputer; and (4) allow interactive examination of the solution output so the user can view vector plots of flow velocity, contour plots of pressure and temperature at various locations and tabulate energy-related integrals of interest.

Multiprocessing on supercomputers for computational aerodynamics

NASA Technical Reports Server (NTRS)

Yarrow, Maurice; Mehta, Unmeel B.

1990-01-01

Very little use is made of multiple processors available on current supercomputers (computers with a theoretical peak performance capability equal to 100 MFLOPs or more) in computational aerodynamics to significantly improve turnaround time. The productivity of a computer user is directly related to this turnaround time. In a time-sharing environment, the improvement in this speed is achieved when multiple processors are used efficiently to execute an algorithm. The concept of multiple instructions and multiple data (MIMD) through multi-tasking is applied via a strategy which requires relatively minor modifications to an existing code for a single processor. Essentially, this approach maps the available memory to multiple processors, exploiting the C-FORTRAN-Unix interface. The existing single processor code is mapped without the need for developing a new algorithm. The procedure for building a code utilizing this approach is automated with the Unix stream editor. As a demonstration of this approach, a Multiple Processor Multiple Grid (MPMG) code is developed. It is capable of using nine processors, and can be easily extended to a larger number of processors. This code solves the three-dimensional, Reynolds averaged, thin-layer and slender-layer Navier-Stokes equations with an implicit, approximately factored and diagonalized method. The solver is applied to generic oblique-wing aircraft problem on a four processor Cray-2 computer. A tricubic interpolation scheme is developed to increase the accuracy of coupling of overlapped grids. For the oblique-wing aircraft problem, a speedup of two in elapsed (turnaround) time is observed in a saturated time-sharing environment.

Enhancing Environmental HPC Applications: The EnCompAS approach

NASA Astrophysics Data System (ADS)

Frank, Anton; Donners, John; Pursula, Antti; Seinstra, Frank; Kranzlmüller, Dieter

2015-04-01

Many HPC applications in geoscience are of very high scientific quality and highly optimized for supercomputers. However, some of these codes lack the uptake by other adjacent scientific communities or industry due to deficiencies in usability, quality, and availability. Since enhancing software by, e.g., adding a graphical user interface, respecting data standards, setting up a support structure, or writing an extensive documentation is not of direct and immediate scientific relevance, most developers are not willing to invest any additional effort in these issues. Furthermore, if scientists, who are not directly involved in the development of some scientific software, could make benefit from additional features or interfaces, respective requests are often turned down due to the lack of time and resources. On the other hand, such enhancements are crucial for the sustainability of the scientific assets as well as the widespread or even worldwide distribution of European environmental software. Closely collaborating with environmental scientists the national supercomputing and eScience centres in Helsinki, Amsterdam, and Munich have identified that an enhancement of HPC and data analysis software must be provided as a service to the scientists developing such software. Therefore, first steps have been taken to establish respective services at these centres. In this talk we will present the already existing and envisioned service portfolio, some first success stories, and the approach to harmonize the current status aiming to turn this local effort into a pan-European service offering for environmental science.

NSF Establishes First Four National Supercomputer Centers.

ERIC Educational Resources Information Center

Lepkowski, Wil

1985-01-01

The National Science Foundation (NSF) has awarded support for supercomputer centers at Cornell University, Princeton University, University of California (San Diego), and University of Illinois. These centers are to be the nucleus of a national academic network for use by scientists and engineers throughout the United States. (DH)

Probing the cosmic causes of errors in supercomputers

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

Cosmic rays from outer space are causing errors in supercomputers. The neutrons that pass through the CPU may be causing binary data to flip leading to incorrect calculations. Los Alamos National Laboratory has developed detectors to determine how much data is being corrupted by these cosmic particles.

A Performance Evaluation of the Cray X1 for Scientific Applications

NASA Technical Reports Server (NTRS)

Oliker, Leonid; Biswas, Rupak; Borrill, Julian; Canning, Andrew; Carter, Jonathan; Djomehri, M. Jahed; Shan, Hongzhang; Skinner, David

2003-01-01

The last decade has witnessed a rapid proliferation of superscalar cache-based microprocessors to build high-end capability and capacity computers because of their generality, scalability, and cost effectiveness. However, the recent development of massively parallel vector systems is having a significant effect on the supercomputing landscape. In this paper, we compare the performance of the recently-released Cray X1 vector system with that of the cacheless NEC SX-6 vector machine, and the superscalar cache-based IBM Power3 and Power4 architectures for scientific applications. Overall results demonstrate that the X1 is quite promising, but performance improvements are expected as the hardware, systems software, and numerical libraries mature. Code reengineering to effectively utilize the complex architecture may also lead to significant efficiency enhancements.

The Sky's the Limit When Super Students Meet Supercomputers.

ERIC Educational Resources Information Center

Trotter, Andrew

1991-01-01

In a few select high schools in the U.S., supercomputers are allowing talented students to attempt sophisticated research projects using simultaneous simulations of nature, culture, and technology not achievable by ordinary microcomputers. Schools can get their students online by entering contests and seeking grants and partnerships with…

NSF Says It Will Support Supercomputer Centers in California and Illinois.

ERIC Educational Resources Information Center

Strosnider, Kim; Young, Jeffrey R.

1997-01-01

The National Science Foundation will increase support for supercomputer centers at the University of California, San Diego and the University of Illinois, Urbana-Champaign, while leaving unclear the status of the program at Cornell University (New York) and a cooperative Carnegie-Mellon University (Pennsylvania) and University of Pittsburgh…

Access to Supercomputers. Higher Education Panel Report 69.

ERIC Educational Resources Information Center

Holmstrom, Engin Inel

This survey was conducted to provide the National Science Foundation with baseline information on current computer use in the nation's major research universities, including the actual and potential use of supercomputers. Questionnaires were sent to 207 doctorate-granting institutions; after follow-ups, 167 institutions (91% of the institutions…

NOAA announces significant investment in next generation of supercomputers

Science.gov Websites

provide more timely, accurate weather forecasts. (Credit: istockphoto.com) Today, NOAA announced the next phase in the agency's efforts to increase supercomputing capacity to provide more timely, accurate turn will lead to more timely, accurate, and reliable forecasts." Ahead of this upgrade, each of

Developments in the simulation of compressible inviscid and viscous flow on supercomputers

NASA Technical Reports Server (NTRS)

Steger, J. L.; Buning, P. G.

1985-01-01

In anticipation of future supercomputers, finite difference codes are rapidly being extended to simulate three-dimensional compressible flow about complex configurations. Some of these developments are reviewed. The importance of computational flow visualization and diagnostic methods to three-dimensional flow simulation is also briefly discussed.

Computing and data processing

NASA Technical Reports Server (NTRS)

Smarr, Larry; Press, William; Arnett, David W.; Cameron, Alastair G. W.; Crutcher, Richard M.; Helfand, David J.; Horowitz, Paul; Kleinmann, Susan G.; Linsky, Jeffrey L.; Madore, Barry F.

1991-01-01

The applications of computers and data processing to astronomy are discussed. Among the topics covered are the emerging national information infrastructure, workstations and supercomputers, supertelescopes, digital astronomy, astrophysics in a numerical laboratory, community software, archiving of ground-based observations, dynamical simulations of complex systems, plasma astrophysics, and the remote control of fourth dimension supercomputers.

Towards a Scalable and Adaptive Application Support Platform for Large-Scale Distributed E-Sciences in High-Performance Network Environments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Chase Qishi; Zhu, Michelle Mengxia

The advent of large-scale collaborative scientific applications has demonstrated the potential for broad scientific communities to pool globally distributed resources to produce unprecedented data acquisition, movement, and analysis. System resources including supercomputers, data repositories, computing facilities, network infrastructures, storage systems, and display devices have been increasingly deployed at national laboratories and academic institutes. These resources are typically shared by large communities of users over Internet or dedicated networks and hence exhibit an inherent dynamic nature in their availability, accessibility, capacity, and stability. Scientific applications using either experimental facilities or computation-based simulations with various physical, chemical, climatic, and biological models featuremore » diverse scientific workflows as simple as linear pipelines or as complex as a directed acyclic graphs, which must be executed and supported over wide-area networks with massively distributed resources. Application users oftentimes need to manually configure their computing tasks over networks in an ad hoc manner, hence significantly limiting the productivity of scientists and constraining the utilization of resources. The success of these large-scale distributed applications requires a highly adaptive and massively scalable workflow platform that provides automated and optimized computing and networking services. This project is to design and develop a generic Scientific Workflow Automation and Management Platform (SWAMP), which contains a web-based user interface specially tailored for a target application, a set of user libraries, and several easy-to-use computing and networking toolkits for application scientists to conveniently assemble, execute, monitor, and control complex computing workflows in heterogeneous high-performance network environments. SWAMP will enable the automation and management of the entire process of scientific workflows with the convenience of a few mouse clicks while hiding the implementation and technical details from end users. Particularly, we will consider two types of applications with distinct performance requirements: data-centric and service-centric applications. For data-centric applications, the main workflow task involves large-volume data generation, catalog, storage, and movement typically from supercomputers or experimental facilities to a team of geographically distributed users; while for service-centric applications, the main focus of workflow is on data archiving, preprocessing, filtering, synthesis, visualization, and other application-specific analysis. We will conduct a comprehensive comparison of existing workflow systems and choose the best suited one with open-source code, a flexible system structure, and a large user base as the starting point for our development. Based on the chosen system, we will develop and integrate new components including a black box design of computing modules, performance monitoring and prediction, and workflow optimization and reconfiguration, which are missing from existing workflow systems. A modular design for separating specification, execution, and monitoring aspects will be adopted to establish a common generic infrastructure suited for a wide spectrum of science applications. We will further design and develop efficient workflow mapping and scheduling algorithms to optimize the workflow performance in terms of minimum end-to-end delay, maximum frame rate, and highest reliability. We will develop and demonstrate the SWAMP system in a local environment, the grid network, and the 100Gpbs Advanced Network Initiative (ANI) testbed. The demonstration will target scientific applications in climate modeling and high energy physics and the functions to be demonstrated include workflow deployment, execution, steering, and reconfiguration. Throughout the project period, we will work closely with the science communities in the fields of climate modeling and high energy physics including Spallation Neutron Source (SNS) and Large Hadron Collider (LHC) projects to mature the system for production use.« less

Nexus: A modular workflow management system for quantum simulation codes

NASA Astrophysics Data System (ADS)

Krogel, Jaron T.

2016-01-01

The management of simulation workflows represents a significant task for the individual computational researcher. Automation of the required tasks involved in simulation work can decrease the overall time to solution and reduce sources of human error. A new simulation workflow management system, Nexus, is presented to address these issues. Nexus is capable of automated job management on workstations and resources at several major supercomputing centers. Its modular design allows many quantum simulation codes to be supported within the same framework. Current support includes quantum Monte Carlo calculations with QMCPACK, density functional theory calculations with Quantum Espresso or VASP, and quantum chemical calculations with GAMESS. Users can compose workflows through a transparent, text-based interface, resembling the input file of a typical simulation code. A usage example is provided to illustrate the process.

Workstations take over conceptual design

NASA Technical Reports Server (NTRS)

Kidwell, George H.

1987-01-01

Workstations provide sufficient computing memory and speed for early evaluations of aircraft design alternatives to identify those worthy of further study. It is recommended that the programming of such machines permit integrated calculations of the configuration and performance analysis of new concepts, along with the capability of changing up to 100 variables at a time and swiftly viewing the results. Computations can be augmented through links to mainframes and supercomputers. Programming, particularly debugging operations, are enhanced by the capability of working with one program line at a time and having available on-screen error indices. Workstation networks permit on-line communication among users and with persons and computers outside the facility. Application of the capabilities is illustrated through a description of NASA-Ames design efforts for an oblique wing for a jet performed on a MicroVAX network.

Final Report for DOE Award ER25756

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kesselman, Carl

2014-11-17

The SciDAC-funded Center for Enabling Distributed Petascale Science (CEDPS) was established to address technical challenges that arise due to the frequent geographic distribution of data producers (in particular, supercomputers and scientific instruments) and data consumers (people and computers) within the DOE laboratory system. Its goal is to produce technical innovations that meet DOE end-user needs for (a) rapid and dependable placement of large quantities of data within a distributed high-performance environment, and (b) the convenient construction of scalable science services that provide for the reliable and high-performance processing of computation and data analysis requests from many remote clients. The Centermore » is also addressing (c) the important problem of troubleshooting these and other related ultra-high-performance distributed activities from the perspective of both performance and functionality« less

LLNL Partners with IBM on Brain-Like Computing Chip

DOE Office of Scientific and Technical Information (OSTI.GOV)

Van Essen, Brian

Lawrence Livermore National Laboratory (LLNL) will receive a first-of-a-kind brain-inspired supercomputing platform for deep learning developed by IBM Research. Based on a breakthrough neurosynaptic computer chip called IBM TrueNorth, the scalable platform will process the equivalent of 16 million neurons and 4 billion synapses and consume the energy equivalent of a hearing aid battery – a mere 2.5 watts of power. The brain-like, neural network design of the IBM Neuromorphic System is able to infer complex cognitive tasks such as pattern recognition and integrated sensory processing far more efficiently than conventional chips.

LLNL Partners with IBM on Brain-Like Computing Chip

ScienceCinema

Van Essen, Brian

2018-06-25

Lawrence Livermore National Laboratory (LLNL) will receive a first-of-a-kind brain-inspired supercomputing platform for deep learning developed by IBM Research. Based on a breakthrough neurosynaptic computer chip called IBM TrueNorth, the scalable platform will process the equivalent of 16 million neurons and 4 billion synapses and consume the energy equivalent of a hearing aid battery – a mere 2.5 watts of power. The brain-like, neural network design of the IBM Neuromorphic System is able to infer complex cognitive tasks such as pattern recognition and integrated sensory processing far more efficiently than conventional chips.

Experiment-scale molecular simulation study of liquid crystal thin films

NASA Astrophysics Data System (ADS)

Nguyen, Trung Dac; Carrillo, Jan-Michael Y.; Matheson, Michael A.; Brown, W. Michael

2014-03-01

Supercomputers have now reached a performance level adequate for studying thin films with molecular detail at the relevant scales. By exploiting the power of GPU accelerators on Titan, we have been able to perform simulations of characteristic liquid crystal films that provide remarkable qualitative agreement with experimental images. We have demonstrated that key features of spinodal instability can only be observed with sufficiently large system sizes, which were not accessible with previous simulation studies. Our study emphasizes the capability and significance of petascale simulations in providing molecular-level insights in thin film systems as well as other interfacial phenomena.

Do Smartphone Power Users Protect Mobile Privacy Better than Nonpower Users? Exploring Power Usage as a Factor in Mobile Privacy Protection and Disclosure.

PubMed

Kang, Hyunjin; Shin, Wonsun

2016-03-01

This study examines how consumers' competence at using smartphone technology (i.e., power usage) affects their privacy protection behaviors. A survey conducted with smartphone users shows that power usage influences privacy protection behavior not only directly but also indirectly through privacy concerns and trust placed in mobile service providers. A follow-up experiment indicates that the effects of power usage on smartphone users' information management can be a function of content personalization. Users, high on power usage, are less likely to share personal information on personalized mobile sites, but they become more revealing when they interact with nonpersonalized mobile sites.

Supercomputer use in orthopaedic biomechanics research: focus on functional adaptation of bone.

PubMed

Hart, R T; Thongpreda, N; Van Buskirk, W C

1988-01-01

The authors describe two biomechanical analyses carried out using numerical methods. One is an analysis of the stress and strain in a human mandible, and the other analysis involves modeling the adaptive response of a sheep bone to mechanical loading. The computing environment required for the two types of analyses is discussed. It is shown that a simple stress analysis of a geometrically complex mandible can be accomplished using a minicomputer. However, more sophisticated analyses of the same model with dynamic loading or nonlinear materials would require supercomputer capabilities. A supercomputer is also required for modeling the adaptive response of living bone, even when simple geometric and material models are use.

NREL's Building-Integrated Supercomputer Provides Heating and Efficient Computing (Fact Sheet)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

2014-09-01

NREL's Energy Systems Integration Facility (ESIF) is meant to investigate new ways to integrate energy sources so they work together efficiently, and one of the key tools to that investigation, a new supercomputer, is itself a prime example of energy systems integration. NREL teamed with Hewlett-Packard (HP) and Intel to develop the innovative warm-water, liquid-cooled Peregrine supercomputer, which not only operates efficiently but also serves as the primary source of building heat for ESIF offices and laboratories. This innovative high-performance computer (HPC) can perform more than a quadrillion calculations per second as part of the world's most energy-efficient HPC datamore » center.« less

Supercomputer optimizations for stochastic optimal control applications

NASA Technical Reports Server (NTRS)

Chung, Siu-Leung; Hanson, Floyd B.; Xu, Huihuang

1991-01-01

Supercomputer optimizations for a computational method of solving stochastic, multibody, dynamic programming problems are presented. The computational method is valid for a general class of optimal control problems that are nonlinear, multibody dynamical systems, perturbed by general Markov noise in continuous time, i.e., nonsmooth Gaussian as well as jump Poisson random white noise. Optimization techniques for vector multiprocessors or vectorizing supercomputers include advanced data structures, loop restructuring, loop collapsing, blocking, and compiler directives. These advanced computing techniques and superconducting hardware help alleviate Bellman's curse of dimensionality in dynamic programming computations, by permitting the solution of large multibody problems. Possible applications include lumped flight dynamics models for uncertain environments, such as large scale and background random aerospace fluctuations.

Optimization of large matrix calculations for execution on the Cray X-MP vector supercomputer

NASA Technical Reports Server (NTRS)

Hornfeck, William A.

1988-01-01

A considerable volume of large computational computer codes were developed for NASA over the past twenty-five years. This code represents algorithms developed for machines of earlier generation. With the emergence of the vector supercomputer as a viable, commercially available machine, an opportunity exists to evaluate optimization strategies to improve the efficiency of existing software. This result is primarily due to architectural differences in the latest generation of large-scale machines and the earlier, mostly uniprocessor, machines. A sofware package being used by NASA to perform computations on large matrices is described, and a strategy for conversion to the Cray X-MP vector supercomputer is also described.

An Integrated Cyberenvironment for Event-Driven Environmental Observatory Research and Education

NASA Astrophysics Data System (ADS)

Myers, J.; Minsker, B.; Butler, R.

2006-12-01

National environmental observatories will soon provide large-scale data from diverse sensor networks and community models. While much attention is focused on piping data from sensors to archives and users, truly integrating these resources into the everyday research activities of scientists and engineers across the community, and enabling their results and innovations to be brought back into the observatory, also critical to long-term success of the observatories, is often neglected. This talk will give an overview of the Environmental Cyberinfrastructure Demonstrator (ECID) Cyberenvironment for observatory-centric environmental research and education, under development at the National Center for Supercomputing Applications (NCSA), which is designed to address these issues. Cyberenvironments incorporate collaboratory and grid technologies, web services, and other cyberinfrastructure into an overall framework that balances needs for efficient coordination and the ability to innovate. They are designed to support the full scientific lifecycle both in terms of individual experiments moving from data to workflows to publication and at the macro level where new discoveries lead to additional data, models, tools, and conceptual frameworks that augment and evolve community-scale systems such as observatories. The ECID cyberenvironment currently integrates five major components a collaborative portal, workflow engine, event manager, metadata repository, and social network personalization capabilities - that have novel features inspired by the Cyberenvironment concept and enabling powerful environmental research scenarios. A summary of these components and the overall cyberenvironment will be given in this talk, while other posters will give details on several of the components. The summary will be presented within the context of environmental use case scenarios created in collaboration with researchers from the WATERS (WATer and Environmental Research Systems) Network, a joint National Science Foundation-funded initiative of the hydrology and environmental engineering communities. The use case scenarios include identifying sensor anomalies in point- and streaming sensor data and notifying data managers in near-real time; and referring users of data or data products (e.g., workflows, publications) to related data or data products.

I/O Performance Characterization of Lustre and NASA Applications on Pleiades

NASA Technical Reports Server (NTRS)

Saini, Subhash; Rappleye, Jason; Chang, Johnny; Barker, David Peter; Biswas, Rupak; Mehrotra, Piyush

2012-01-01

In this paper we study the performance of the Lustre file system using five scientific and engineering applications representative of NASA workload on large-scale supercomputing systems such as NASA s Pleiades. In order to facilitate the collection of Lustre performance metrics, we have developed a software tool that exports a wide variety of client and server-side metrics using SGI's Performance Co-Pilot (PCP), and generates a human readable report on key metrics at the end of a batch job. These performance metrics are (a) amount of data read and written, (b) number of files opened and closed, and (c) remote procedure call (RPC) size distribution (4 KB to 1024 KB, in powers of 2) for I/O operations. RPC size distribution measures the efficiency of the Lustre client and can pinpoint problems such as small write sizes, disk fragmentation, etc. These extracted statistics are useful in determining the I/O pattern of the application and can assist in identifying possible improvements for users applications. Information on the number of file operations enables a scientist to optimize the I/O performance of their applications. Amount of I/O data helps users choose the optimal stripe size and stripe count to enhance I/O performance. In this paper, we demonstrate the usefulness of this tool on Pleiades for five production quality NASA scientific and engineering applications. We compare the latency of read and write operations under Lustre to that with NFS by tracing system calls and signals. We also investigate the read and write policies and study the effect of page cache size on I/O operations. We examine the performance impact of Lustre stripe size and stripe count along with performance evaluation of file per process and single shared file accessed by all the processes for NASA workload using parameterized IOR benchmark.

Congressional Panel Seeks To Curb Access of Foreign Students to U.S. Supercomputers.

ERIC Educational Resources Information Center

Kiernan, Vincent

1999-01-01

Fearing security problems, a congressional committee on Chinese espionage recommends that foreign students and other foreign nationals be barred from using supercomputers at national laboratories unless they first obtain export licenses from the federal government. University officials dispute the data on which the report is based and find the…

The ChemViz Project: Using a Supercomputer To Illustrate Abstract Concepts in Chemistry.

ERIC Educational Resources Information Center

Beckwith, E. Kenneth; Nelson, Christopher

1998-01-01

Describes the Chemistry Visualization (ChemViz) Project, a Web venture maintained by the University of Illinois National Center for Supercomputing Applications (NCSA) that enables high school students to use computational chemistry as a technique for understanding abstract concepts. Discusses the evolution of computational chemistry and provides a…

Intricacies of modern supercomputing illustrated with recent advances in simulations of strongly correlated electron systems

NASA Astrophysics Data System (ADS)

Schulthess, Thomas C.

2013-03-01

The continued thousand-fold improvement in sustained application performance per decade on modern supercomputers keeps opening new opportunities for scientific simulations. But supercomputers have become very complex machines, built with thousands or tens of thousands of complex nodes consisting of multiple CPU cores or, most recently, a combination of CPU and GPU processors. Efficient simulations on such high-end computing systems require tailored algorithms that optimally map numerical methods to particular architectures. These intricacies will be illustrated with simulations of strongly correlated electron systems, where the development of quantum cluster methods, Monte Carlo techniques, as well as their optimal implementation by means of algorithms with improved data locality and high arithmetic density have gone hand in hand with evolving computer architectures. The present work would not have been possible without continued access to computing resources at the National Center for Computational Science of Oak Ridge National Laboratory, which is funded by the Facilities Division of the Office of Advanced Scientific Computing Research, and the Swiss National Supercomputing Center (CSCS) that is funded by ETH Zurich.

Extracting the Textual and Temporal Structure of Supercomputing Logs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jain, S; Singh, I; Chandra, A

2009-05-26

Supercomputers are prone to frequent faults that adversely affect their performance, reliability and functionality. System logs collected on these systems are a valuable resource of information about their operational status and health. However, their massive size, complexity, and lack of standard format makes it difficult to automatically extract information that can be used to improve system management. In this work we propose a novel method to succinctly represent the contents of supercomputing logs, by using textual clustering to automatically find the syntactic structures of log messages. This information is used to automatically classify messages into semantic groups via an onlinemore » clustering algorithm. Further, we describe a methodology for using the temporal proximity between groups of log messages to identify correlated events in the system. We apply our proposed methods to two large, publicly available supercomputing logs and show that our technique features nearly perfect accuracy for online log-classification and extracts meaningful structural and temporal message patterns that can be used to improve the accuracy of other log analysis techniques.« less

P2P Technology for High-Performance Computing: An Overview

NASA Technical Reports Server (NTRS)

Follen, Gregory J. (Technical Monitor); Berry, Jason

2003-01-01

The transition from cluster computing to peer-to-peer (P2P) high-performance computing has recently attracted the attention of the computer science community. It has been recognized that existing local networks and dedicated clusters of headless workstations can serve as inexpensive yet powerful virtual supercomputers. It has also been recognized that the vast number of lower-end computers connected to the Internet stay idle for as long as 90% of the time. The growing speed of Internet connections and the high availability of free CPU time encourage exploration of the possibility to use the whole Internet rather than local clusters as massively parallel yet almost freely available P2P supercomputer. As a part of a larger project on P2P high-performance computing, it has been my goal to compile an overview of the 2P2 paradigm. I have studied various P2P platforms and I have compiled systematic brief descriptions of their most important characteristics. I have also experimented and obtained hands-on experience with selected P2P platforms focusing on those that seem promising with respect to P2P high-performance computing. I have also compiled relevant literature and web references. I have prepared a draft technical report and I have summarized my findings in a poster paper.

The impact of CFD on development test facilities - A National Research Council projection. [computational fluid dynamics

NASA Technical Reports Server (NTRS)

Korkegi, R. H.

1983-01-01

The results of a National Research Council study on the effect that advances in computational fluid dynamics (CFD) will have on conventional aeronautical ground testing are reported. Current CFD capabilities include the depiction of linearized inviscid flows and a boundary layer, initial use of Euler coordinates using supercomputers to automatically generate a grid, research and development on Reynolds-averaged Navier-Stokes (N-S) equations, and preliminary research on solutions to the full N-S equations. Improvements in the range of CFD usage is dependent on the development of more powerful supercomputers, exceeding even the projected abilities of the NASA Numerical Aerodynamic Simulator (1 BFLOP/sec). Full representation of the Re-averaged N-S equations will require over one million grid points, a computing level predicted to be available in 15 yr. Present capabilities allow identification of data anomalies, confirmation of data accuracy, and adequateness of model design in wind tunnel trials. Account can be taken of the wall effects and the Re in any flight regime during simulation. CFD can actually be more accurate than instrumented tests, since all points in a flow can be modeled with CFD, while they cannot all be monitored with instrumentation in a wind tunnel.

Modeling a Million-Node Slim Fly Network Using Parallel Discrete-Event Simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wolfe, Noah; Carothers, Christopher; Mubarak, Misbah

As supercomputers close in on exascale performance, the increased number of processors and processing power translates to an increased demand on the underlying network interconnect. The Slim Fly network topology, a new lowdiameter and low-latency interconnection network, is gaining interest as one possible solution for next-generation supercomputing interconnect systems. In this paper, we present a high-fidelity Slim Fly it-level model leveraging the Rensselaer Optimistic Simulation System (ROSS) and Co-Design of Exascale Storage (CODES) frameworks. We validate our Slim Fly model with the Kathareios et al. Slim Fly model results provided at moderately sized network scales. We further scale the modelmore » size up to n unprecedented 1 million compute nodes; and through visualization of network simulation metrics such as link bandwidth, packet latency, and port occupancy, we get an insight into the network behavior at the million-node scale. We also show linear strong scaling of the Slim Fly model on an Intel cluster achieving a peak event rate of 36 million events per second using 128 MPI tasks to process 7 billion events. Detailed analysis of the underlying discrete-event simulation performance shows that a million-node Slim Fly model simulation can execute in 198 seconds on the Intel cluster.« less

Kenneth Wilson and Lattice QCD

NASA Astrophysics Data System (ADS)

Ukawa, Akira

2015-09-01

We discuss the physics and computation of lattice QCD, a space-time lattice formulation of quantum chromodynamics, and Kenneth Wilson's seminal role in its development. We start with the fundamental issue of confinement of quarks in the theory of the strong interactions, and discuss how lattice QCD provides a framework for understanding this phenomenon. A conceptual issue with lattice QCD is a conflict of space-time lattice with chiral symmetry of quarks. We discuss how this problem is resolved. Since lattice QCD is a non-linear quantum dynamical system with infinite degrees of freedom, quantities which are analytically calculable are limited. On the other hand, it provides an ideal case of massively parallel numerical computations. We review the long and distinguished history of parallel-architecture supercomputers designed and built for lattice QCD. We discuss algorithmic developments, in particular the difficulties posed by the fermionic nature of quarks, and their resolution. The triad of efforts toward better understanding of physics, better algorithms, and more powerful supercomputers have produced major breakthroughs in our understanding of the strong interactions. We review the salient results of this effort in understanding the hadron spectrum, the Cabibbo-Kobayashi-Maskawa matrix elements and CP violation, and quark-gluon plasma at high temperatures. We conclude with a brief summary and a future perspective.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Keefer, Donald A.; Shaffer, Eric G.; Storsved, Brynne

A free software application, RVA, has been developed as a plugin to the US DOE-funded ParaView visualization package, to provide support in the visualization and analysis of complex reservoirs being managed using multi-fluid EOR techniques. RVA, for Reservoir Visualization and Analysis, was developed as an open-source plugin to the 64 bit Windows version of ParaView 3.14. RVA was developed at the University of Illinois at Urbana-Champaign, with contributions from the Illinois State Geological Survey, Department of Computer Science and National Center for Supercomputing Applications. RVA was designed to utilize and enhance the state-of-the-art visualization capabilities within ParaView, readily allowing jointmore » visualization of geologic framework and reservoir fluid simulation model results. Particular emphasis was placed on enabling visualization and analysis of simulation results highlighting multiple fluid phases, multiple properties for each fluid phase (including flow lines), multiple geologic models and multiple time steps. Additional advanced functionality was provided through the development of custom code to implement data mining capabilities. The built-in functionality of ParaView provides the capacity to process and visualize data sets ranging from small models on local desktop systems to extremely large models created and stored on remote supercomputers. The RVA plugin that we developed and the associated User Manual provide improved functionality through new software tools, and instruction in the use of ParaView-RVA, targeted to petroleum engineers and geologists in industry and research. The RVA web site (http://rva.cs.illinois.edu) provides an overview of functions, and the development web site (https://github.com/shaffer1/RVA) provides ready access to the source code, compiled binaries, user manual, and a suite of demonstration data sets. Key functionality has been included to support a range of reservoirs visualization and analysis needs, including: sophisticated connectivity analysis, cross sections through simulation results between selected wells, simplified volumetric calculations, global vertical exaggeration adjustments, ingestion of UTChem simulation results, ingestion of Isatis geostatistical framework models, interrogation of joint geologic and reservoir modeling results, joint visualization and analysis of well history files, location-targeted visualization, advanced correlation analysis, visualization of flow paths, and creation of static images and animations highlighting targeted reservoir features.« less

RVA: A Plugin for ParaView 3.14

DOE Office of Scientific and Technical Information (OSTI.GOV)

2015-09-04

RVA is a plugin developed for the 64-bit Windows version of the ParaView 3.14 visualization package. RVA is designed to provide support in the visualization and analysis of complex reservoirs being managed using multi-fluid EOR techniques. RVA, for Reservoir Visualization and Analysis, was developed at the University of Illinois at Urbana-Champaign, with contributions from the Illinois State Geological Survey, Department of Computer Science and National Center for Supercomputing Applications. RVA was designed to utilize and enhance the state-of-the-art visualization capabilities within ParaView, readily allowing joint visualization of geologic framework and reservoir fluid simulation model results. Particular emphasis was placed onmore » enabling visualization and analysis of simulation results highlighting multiple fluid phases, multiple properties for each fluid phase (including flow lines), multiple geologic models and multiple time steps. Additional advanced functionality was provided through the development of custom code to implement data mining capabilities. The built-in functionality of ParaView provides the capacity to process and visualize data sets ranging from small models on local desktop systems to extremely large models created and stored on remote supercomputers. The RVA plugin that we developed and the associated User Manual provide improved functionality through new software tools, and instruction in the use of ParaView-RVA, targeted to petroleum engineers and geologists in industry and research. The RVA web site (http://rva.cs.illinois.edu) provides an overview of functions, and the development web site (https://github.com/shaffer1/RVA) provides ready access to the source code, compiled binaries, user manual, and a suite of demonstration data sets. Key functionality has been included to support a range of reservoirs visualization and analysis needs, including: sophisticated connectivity analysis, cross sections through simulation results between selected wells, simplified volumetric calculations, global vertical exaggeration adjustments, ingestion of UTChem simulation results, ingestion of Isatis geostatistical framework models, interrogation of joint geologic and reservoir modeling results, joint visualization and analysis of well history files, location-targeted visualization, advanced correlation analysis, visualization of flow paths, and creation of static images and animations highlighting targeted reservoir features.« less

The " Swarm of Ants vs. Herd of Elephants" Debated Revisited: Performance Measurements of PVM-Overflow Across a Wide Spectrum of Architectures

NASA Technical Reports Server (NTRS)

Yan, Jerry C.; Jespersen, Dennis; Buning, Peter; Bailey, David (Technical Monitor)

1996-01-01

The Gorden Bell Prizes given out at Supercomputing every year includes at least two catergories: performance (highest GFLOP count) and price-performance (GFLOP/million $$) for real applications. In the past five years, the winners of the price-performance categories all came from networks of work-stations. This reflects three important facts: 1. supercomputers are still too expensive for the masses; 2. achieving high performance for real applications takes real work; and, most importantly; 3. it is possible to obtain acceptable performance for certain real applications on network of work stations. With the continued advance of network technology as well as increased performance of "desktop" workstation, the "Swarm of Ants vs. Herd of Elephants" debate, which began with vector multiprocessors (VPPs) against SIMD type multiprocessors (e.g. CM2), is now recast as VPPs against Symetric Multiprocessors (SMPs, e.g. SGI PowerChallenge). This paper reports on performance studies we performed solving a large scale (2-million grid pt.s) CFD problem involving a Boeing 747 based on a parallel version of OVERFLOW that utilizes message passing on PVM. A performance monitoring tool developed under NASA HPCC, called AIMS, was used to instrument and analyze the the performance data thus obtained. We plan to compare its performance data obtained across a wide spectrum of architectures including: the Cray C90, IBM/SP2, SGI/Power Challenge Cluster, to a group of workstations connected over a simple network. The metrics of comparison includes speed-up, price-performance, throughput, and turn-around time. We also plan to present a plan of attack for various issues that will make the execution of Grand Challenge Applications across the Global Information Infrastructure a reality.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bland, Arthur S Buddy; Hack, James J; Baker, Ann E

Oak Ridge National Laboratory's (ORNL's) Cray XT5 supercomputer, Jaguar, kicked off the era of petascale scientific computing in 2008 with applications that sustained more than a thousand trillion floating point calculations per second - or 1 petaflop. Jaguar continues to grow even more powerful as it helps researchers broaden the boundaries of knowledge in virtually every domain of computational science, including weather and climate, nuclear energy, geosciences, combustion, bioenergy, fusion, and materials science. Their insights promise to broaden our knowledge in areas that are vitally important to the Department of Energy (DOE) and the nation as a whole, particularly energymore » assurance and climate change. The science of the 21st century, however, will demand further revolutions in computing, supercomputers capable of a million trillion calculations a second - 1 exaflop - and beyond. These systems will allow investigators to continue attacking global challenges through modeling and simulation and to unravel longstanding scientific questions. Creating such systems will also require new approaches to daunting challenges. High-performance systems of the future will need to be codesigned for scientific and engineering applications with best-in-class communications networks and data-management infrastructures and teams of skilled researchers able to take full advantage of these new resources. The Oak Ridge Leadership Computing Facility (OLCF) provides the nation's most powerful open resource for capability computing, with a sustainable path that will maintain and extend national leadership for DOE's Office of Science (SC). The OLCF has engaged a world-class team to support petascale science and to take a dramatic step forward, fielding new capabilities for high-end science. This report highlights the successful delivery and operation of a petascale system and shows how the OLCF fosters application development teams, developing cutting-edge tools and resources for next-generation systems.« less

Electromagnetic Modeling of Human Body Using High Performance Computing

NASA Astrophysics Data System (ADS)

Ng, Cho-Kuen; Beall, Mark; Ge, Lixin; Kim, Sanghoek; Klaas, Ottmar; Poon, Ada

Realistic simulation of electromagnetic wave propagation in the actual human body can expedite the investigation of the phenomenon of harvesting implanted devices using wireless powering coupled from external sources. The parallel electromagnetics code suite ACE3P developed at SLAC National Accelerator Laboratory is based on the finite element method for high fidelity accelerator simulation, which can be enhanced to model electromagnetic wave propagation in the human body. Starting with a CAD model of a human phantom that is characterized by a number of tissues, a finite element mesh representing the complex geometries of the individual tissues is built for simulation. Employing an optimal power source with a specific pattern of field distribution, the propagation and focusing of electromagnetic waves in the phantom has been demonstrated. Substantial speedup of the simulation is achieved by using multiple compute cores on supercomputers.

The impact of the U.S. supercomputing initiative will be global

DOE Office of Scientific and Technical Information (OSTI.GOV)

Crawford, Dona

2016-01-15

Last July, President Obama issued an executive order that created a coordinated federal strategy for HPC research, development, and deployment called the U.S. National Strategic Computing Initiative (NSCI). However, this bold, necessary step toward building the next generation of supercomputers has inaugurated a new era for U.S. high performance computing (HPC).

Parallel-vector solution of large-scale structural analysis problems on supercomputers

NASA Technical Reports Server (NTRS)

Storaasli, Olaf O.; Nguyen, Duc T.; Agarwal, Tarun K.

1989-01-01

A direct linear equation solution method based on the Choleski factorization procedure is presented which exploits both parallel and vector features of supercomputers. The new equation solver is described, and its performance is evaluated by solving structural analysis problems on three high-performance computers. The method has been implemented using Force, a generic parallel FORTRAN language.

Predicting Hurricanes with Supercomputers

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

2010-01-01

Hurricane Emily, formed in the Atlantic Ocean on July 10, 2005, was the strongest hurricane ever to form before August. By checking computer models against the actual path of the storm, researchers can improve hurricane prediction. In 2010, NOAA researchers were awarded 25 million processor-hours on Argonne's BlueGene/P supercomputer for the project. Read more at http://go.usa.gov/OLh

Supercomputers Of The Future

NASA Technical Reports Server (NTRS)

Peterson, Victor L.; Kim, John; Holst, Terry L.; Deiwert, George S.; Cooper, David M.; Watson, Andrew B.; Bailey, F. Ron

1992-01-01

Report evaluates supercomputer needs of five key disciplines: turbulence physics, aerodynamics, aerothermodynamics, chemistry, and mathematical modeling of human vision. Predicts these fields will require computer speed greater than 10(Sup 18) floating-point operations per second (FLOP's) and memory capacity greater than 10(Sup 15) words. Also, new parallel computer architectures and new structured numerical methods will make necessary speed and capacity available.

Advances in petascale kinetic plasma simulation with VPIC and Roadrunner

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bowers, Kevin J; Albright, Brian J; Yin, Lin

2009-01-01

VPIC, a first-principles 3d electromagnetic charge-conserving relativistic kinetic particle-in-cell (PIC) code, was recently adapted to run on Los Alamos's Roadrunner, the first supercomputer to break a petaflop (10{sup 15} floating point operations per second) in the TOP500 supercomputer performance rankings. They give a brief overview of the modeling capabilities and optimization techniques used in VPIC and the computational characteristics of petascale supercomputers like Roadrunner. They then discuss three applications enabled by VPIC's unprecedented performance on Roadrunner: modeling laser plasma interaction in upcoming inertial confinement fusion experiments at the National Ignition Facility (NIF), modeling short pulse laser GeV ion acceleration andmore » modeling reconnection in magnetic confinement fusion experiments.« less

Supercomputing Sheds Light on the Dark Universe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Habib, Salman; Heitmann, Katrin

2012-11-15

At Argonne National Laboratory, scientists are using supercomputers to shed light on one of the great mysteries in science today, the Dark Universe. With Mira, a petascale supercomputer at the Argonne Leadership Computing Facility, a team led by physicists Salman Habib and Katrin Heitmann will run the largest, most complex simulation of the universe ever attempted. By contrasting the results from Mira with state-of-the-art telescope surveys, the scientists hope to gain new insights into the distribution of matter in the universe, advancing future investigations of dark energy and dark matter into a new realm. The team's research was named amore » finalist for the 2012 Gordon Bell Prize, an award recognizing outstanding achievement in high-performance computing.« less

Progress and supercomputing in computational fluid dynamics; Proceedings of U.S.-Israel Workshop, Jerusalem, Israel, December 1984

NASA Technical Reports Server (NTRS)

Murman, E. M. (Editor); Abarbanel, S. S. (Editor)

1985-01-01

Current developments and future trends in the application of supercomputers to computational fluid dynamics are discussed in reviews and reports. Topics examined include algorithm development for personal-size supercomputers, a multiblock three-dimensional Euler code for out-of-core and multiprocessor calculations, simulation of compressible inviscid and viscous flow, high-resolution solutions of the Euler equations for vortex flows, algorithms for the Navier-Stokes equations, and viscous-flow simulation by FEM and related techniques. Consideration is given to marching iterative methods for the parabolized and thin-layer Navier-Stokes equations, multigrid solutions to quasi-elliptic schemes, secondary instability of free shear flows, simulation of turbulent flow, and problems connected with weather prediction.

Early experiences in developing and managing the neuroscience gateway.

PubMed

Sivagnanam, Subhashini; Majumdar, Amit; Yoshimoto, Kenneth; Astakhov, Vadim; Bandrowski, Anita; Martone, MaryAnn; Carnevale, Nicholas T

2015-02-01

The last few decades have seen the emergence of computational neuroscience as a mature field where researchers are interested in modeling complex and large neuronal systems and require access to high performance computing machines and associated cyber infrastructure to manage computational workflow and data. The neuronal simulation tools, used in this research field, are also implemented for parallel computers and suitable for high performance computing machines. But using these tools on complex high performance computing machines remains a challenge because of issues with acquiring computer time on these machines located at national supercomputer centers, dealing with complex user interface of these machines, dealing with data management and retrieval. The Neuroscience Gateway is being developed to alleviate and/or hide these barriers to entry for computational neuroscientists. It hides or eliminates, from the point of view of the users, all the administrative and technical barriers and makes parallel neuronal simulation tools easily available and accessible on complex high performance computing machines. It handles the running of jobs and data management and retrieval. This paper shares the early experiences in bringing up this gateway and describes the software architecture it is based on, how it is implemented, and how users can use this for computational neuroscience research using high performance computing at the back end. We also look at parallel scaling of some publicly available neuronal models and analyze the recent usage data of the neuroscience gateway.

Addressing the Tension Between Strong Perimeter Control an Usability

NASA Technical Reports Server (NTRS)

Hinke, Thomas H.; Kolano, Paul Z.; Keller, Chris

2006-01-01

This paper describes a strong perimeter control system for a general purpose processing system, with the perimeter control system taking significant steps to address usability issues, thus mitigating the tension between strong perimeter protection and usability. A secure front end enforces two-factor authentication for all interactive access to an enclave that contains a large supercomputer and various associated systems, with each requiring their own authentication. Usability is addressed through a design in which the user has to perform two-factor authentication at the secure front end in order to gain access to the enclave, while an agent transparently performs public key authentication as needed to authenticate to specific systems within the enclave. The paper then describes a proxy system that allows users to transfer files into the enclave under script control, when the user is not present to perform two-factor authentication. This uses a pre-authorization approach based on public key technology, which is still strongly tied to both two-factor authentication and strict control over where files can be transferred on the target system. Finally the paper describes an approach to support network applications and systems such as grids or parallel file transfer protocols that require the use of many ports through the perimeter. The paper describes a least privilege approach that dynamically opens ports on a host-specific, if-authorized, as-needed, just-in-time basis.

Early experiences in developing and managing the neuroscience gateway

PubMed Central

Sivagnanam, Subhashini; Majumdar, Amit; Yoshimoto, Kenneth; Astakhov, Vadim; Bandrowski, Anita; Martone, MaryAnn; Carnevale, Nicholas. T.

2015-01-01

SUMMARY The last few decades have seen the emergence of computational neuroscience as a mature field where researchers are interested in modeling complex and large neuronal systems and require access to high performance computing machines and associated cyber infrastructure to manage computational workflow and data. The neuronal simulation tools, used in this research field, are also implemented for parallel computers and suitable for high performance computing machines. But using these tools on complex high performance computing machines remains a challenge because of issues with acquiring computer time on these machines located at national supercomputer centers, dealing with complex user interface of these machines, dealing with data management and retrieval. The Neuroscience Gateway is being developed to alleviate and/or hide these barriers to entry for computational neuroscientists. It hides or eliminates, from the point of view of the users, all the administrative and technical barriers and makes parallel neuronal simulation tools easily available and accessible on complex high performance computing machines. It handles the running of jobs and data management and retrieval. This paper shares the early experiences in bringing up this gateway and describes the software architecture it is based on, how it is implemented, and how users can use this for computational neuroscience research using high performance computing at the back end. We also look at parallel scaling of some publicly available neuronal models and analyze the recent usage data of the neuroscience gateway. PMID:26523124

Computation of Reacting Flows in Combustion Processes

NASA Technical Reports Server (NTRS)

Keith, Theo G., Jr.; Chen, Kuo-Huey

1997-01-01

The main objective of this research was to develop an efficient three-dimensional computer code for chemically reacting flows. The main computer code developed is ALLSPD-3D. The ALLSPD-3D computer program is developed for the calculation of three-dimensional, chemically reacting flows with sprays. The ALL-SPD code employs a coupled, strongly implicit solution procedure for turbulent spray combustion flows. A stochastic droplet model and an efficient method for treatment of the spray source terms in the gas-phase equations are used to calculate the evaporating liquid sprays. The chemistry treatment in the code is general enough that an arbitrary number of reaction and species can be defined by the users. Also, it is written in generalized curvilinear coordinates with both multi-block and flexible internal blockage capabilities to handle complex geometries. In addition, for general industrial combustion applications, the code provides both dilution and transpiration cooling capabilities. The ALLSPD algorithm, which employs the preconditioning and eigenvalue rescaling techniques, is capable of providing efficient solution for flows with a wide range of Mach numbers. Although written for three-dimensional flows in general, the code can be used for two-dimensional and axisymmetric flow computations as well. The code is written in such a way that it can be run in various computer platforms (supercomputers, workstations and parallel processors) and the GUI (Graphical User Interface) should provide a user-friendly tool in setting up and running the code.

Quantum lattice model solver HΦ

NASA Astrophysics Data System (ADS)

Kawamura, Mitsuaki; Yoshimi, Kazuyoshi; Misawa, Takahiro; Yamaji, Youhei; Todo, Synge; Kawashima, Naoki

2017-08-01

HΦ [aitch-phi ] is a program package based on the Lanczos-type eigenvalue solution applicable to a broad range of quantum lattice models, i.e., arbitrary quantum lattice models with two-body interactions, including the Heisenberg model, the Kitaev model, the Hubbard model and the Kondo-lattice model. While it works well on PCs and PC-clusters, HΦ also runs efficiently on massively parallel computers, which considerably extends the tractable range of the system size. In addition, unlike most existing packages, HΦ supports finite-temperature calculations through the method of thermal pure quantum (TPQ) states. In this paper, we explain theoretical background and user-interface of HΦ. We also show the benchmark results of HΦ on supercomputers such as the K computer at RIKEN Advanced Institute for Computational Science (AICS) and SGI ICE XA (Sekirei) at the Institute for the Solid State Physics (ISSP).

Efficient multitasking of Choleski matrix factorization on CRAY supercomputers

NASA Technical Reports Server (NTRS)

Overman, Andrea L.; Poole, Eugene L.

1991-01-01

A Choleski method is described and used to solve linear systems of equations that arise in large scale structural analysis. The method uses a novel variable-band storage scheme and is structured to exploit fast local memory caches while minimizing data access delays between main memory and vector registers. Several parallel implementations of this method are described for the CRAY-2 and CRAY Y-MP computers demonstrating the use of microtasking and autotasking directives. A portable parallel language, FORCE, is used for comparison with the microtasked and autotasked implementations. Results are presented comparing the matrix factorization times for three representative structural analysis problems from runs made in both dedicated and multi-user modes on both computers. CPU and wall clock timings are given for the parallel implementations and are compared to single processor timings of the same algorithm.

Hyperswitch communication network

NASA Technical Reports Server (NTRS)

Peterson, J.; Pniel, M.; Upchurch, E.

1991-01-01

The Hyperswitch Communication Network (HCN) is a large scale parallel computer prototype being developed at JPL. Commercial versions of the HCN computer are planned. The HCN computer being designed is a message passing multiple instruction multiple data (MIMD) computer, and offers many advantages in price-performance ratio, reliability and availability, and manufacturing over traditional uniprocessors and bus based multiprocessors. The design of the HCN operating system is a uniquely flexible environment that combines both parallel processing and distributed processing. This programming paradigm can achieve a balance among the following competing factors: performance in processing and communications, user friendliness, and fault tolerance. The prototype is being designed to accommodate a maximum of 64 state of the art microprocessors. The HCN is classified as a distributed supercomputer. The HCN system is described, and the performance/cost analysis and other competing factors within the system design are reviewed.

Nexus: a modular workflow management system for quantum simulation codes

DOE PAGES

Krogel, Jaron T.

2015-08-24

The management of simulation workflows is a significant task for the individual computational researcher. Automation of the required tasks involved in simulation work can decrease the overall time to solution and reduce sources of human error. A new simulation workflow management system, Nexus, is presented to address these issues. Nexus is capable of automated job management on workstations and resources at several major supercomputing centers. Its modular design allows many quantum simulation codes to be supported within the same framework. Current support includes quantum Monte Carlo calculations with QMCPACK, density functional theory calculations with Quantum Espresso or VASP, and quantummore » chemical calculations with GAMESS. Users can compose workflows through a transparent, text-based interface, resembling the input file of a typical simulation code. A usage example is provided to illustrate the process.« less

Ice Storm Supercomputer

ScienceCinema

None

2018-05-01

A new Idaho National Laboratory supercomputer is helping scientists create more realistic simulations of nuclear fuel. Dubbed "Ice Storm" this 2048-processor machine allows researchers to model and predict the complex physics behind nuclear reactor behavior. And with a new visualization lab, the team can see the results of its simulations on the big screen. For more information about INL research, visit http://www.facebook.com/idahonationallaboratory.

Open Skies Project Computational Fluid Dynamic Analysis

DTIC Science & Technology

1994-03-01

109 -. -_ _ 9 . CONCLUSIONSI1 f 10. LIST OF REFERENCES _________ ___________112 APPENDIX A: Transition Prediction __________________116 B...Behind the Open Skies Plate 20 8. VSAERO Results on the Alternate Fairing 21 9 . Centerline Cp Comparisons 22 10. VSAERO Wing Effects Study Centerline C...problems. The assistance Mrs. Mary Ann Mages, at Kirtland Supercomputer Center ( PL /SCPR) gave by setting a precedent for supercomputer account

Alloy Design Workbench-Surface Modeling Package Developed

NASA Technical Reports Server (NTRS)

Abel, Phillip B.; Noebe, Ronald D.; Bozzolo, Guillermo H.; Good, Brian S.; Daugherty, Elaine S.

2003-01-01

NASA Glenn Research Center's Computational Materials Group has integrated a graphical user interface with in-house-developed surface modeling capabilities, with the goal of using computationally efficient atomistic simulations to aid the development of advanced aerospace materials, through the modeling of alloy surfaces, surface alloys, and segregation. The software is also ideal for modeling nanomaterials, since surface and interfacial effects can dominate material behavior and properties at this level. Through the combination of an accurate atomistic surface modeling methodology and an efficient computational engine, it is now possible to directly model these types of surface phenomenon and metallic nanostructures without a supercomputer. Fulfilling a High Operating Temperature Propulsion Components (HOTPC) project level-I milestone, a graphical user interface was created for a suite of quantum approximate atomistic materials modeling Fortran programs developed at Glenn. The resulting "Alloy Design Workbench-Surface Modeling Package" (ADW-SMP) is the combination of proven quantum approximate Bozzolo-Ferrante-Smith (BFS) algorithms (refs. 1 and 2) with a productivity-enhancing graphical front end. Written in the portable, platform independent Java programming language, the graphical user interface calls on extensively tested Fortran programs running in the background for the detailed computational tasks. Designed to run on desktop computers, the package has been deployed on PC, Mac, and SGI computer systems. The graphical user interface integrates two modes of computational materials exploration. One mode uses Monte Carlo simulations to determine lowest energy equilibrium configurations. The second approach is an interactive "what if" comparison of atomic configuration energies, designed to provide real-time insight into the underlying drivers of alloying processes.

Genetic Algorithms and Nucleation in VIH-AIDS transition.

NASA Astrophysics Data System (ADS)

Barranon, Armando

2003-03-01

VIH to AIDS transition has been modeled via a genetic algorithm that uses boom-boom principle and where population evolution is simulated with a cellular automaton based on SIR model. VIH to AIDS transition is signed by nucleation of infected cells and low probability of infection are obtained for different mutation rates in agreement with clinical results. A power law is obtained with a critical exponent close to the critical exponent of cubic, spherical percolation, colossal magnetic resonance, Ising Model and liquid-gas phase transition in heavy ion collisions. Computations were carried out at UAM-A Supercomputing Lab and author acknowledges financial support from Division of CBI at UAM-A.

Clock Agreement Among Parallel Supercomputer Nodes

DOE Data Explorer

Jones, Terry R.; Koenig, Gregory A.

2014-04-30

This dataset presents measurements that quantify the clock synchronization time-agreement characteristics among several high performance computers including the current world's most powerful machine for open science, the U.S. Department of Energy's Titan machine sited at Oak Ridge National Laboratory. These ultra-fast machines derive much of their computational capability from extreme node counts (over 18000 nodes in the case of the Titan machine). Time-agreement is commonly utilized by parallel programming applications and tools, distributed programming application and tools, and system software. Our time-agreement measurements detail the degree of time variance between nodes and how that variance changes over time. The dataset includes empirical measurements and the accompanying spreadsheets.

Wakefield Computations for the CLIC PETS using the Parallel Finite Element Time-Domain Code T3P

DOE Office of Scientific and Technical Information (OSTI.GOV)

Candel, A; Kabel, A.; Lee, L.

In recent years, SLAC's Advanced Computations Department (ACD) has developed the high-performance parallel 3D electromagnetic time-domain code, T3P, for simulations of wakefields and transients in complex accelerator structures. T3P is based on advanced higher-order Finite Element methods on unstructured grids with quadratic surface approximation. Optimized for large-scale parallel processing on leadership supercomputing facilities, T3P allows simulations of realistic 3D structures with unprecedented accuracy, aiding the design of the next generation of accelerator facilities. Applications to the Compact Linear Collider (CLIC) Power Extraction and Transfer Structure (PETS) are presented.

PDS: A Performance Database Server

DOE PAGES

Berry, Michael W.; Dongarra, Jack J.; Larose, Brian H.; ...

1994-01-01

The process of gathering, archiving, and distributing computer benchmark data is a cumbersome task usually performed by computer users and vendors with little coordination. Most important, there is no publicly available central depository of performance data for all ranges of machines from personal computers to supercomputers. We present an Internet-accessible performance database server (PDS) that can be used to extract current benchmark data and literature. As an extension to the X-Windows-based user interface (Xnetlib) to the Netlib archival system, PDS provides an on-line catalog of public domain computer benchmarks such as the LINPACK benchmark, Perfect benchmarks, and the NAS parallelmore » benchmarks. PDS does not reformat or present the benchmark data in any way that conflicts with the original methodology of any particular benchmark; it is thereby devoid of any subjective interpretations of machine performance. We believe that all branches (research laboratories, academia, and industry) of the general computing community can use this facility to archive performance metrics and make them readily available to the public. PDS can provide a more manageable approach to the development and support of a large dynamic database of published performance metrics.« less

DelPhiPKa web server: predicting pKa of proteins, RNAs and DNAs.

PubMed

Wang, Lin; Zhang, Min; Alexov, Emil

2016-02-15

A new pKa prediction web server is released, which implements DelPhi Gaussian dielectric function to calculate electrostatic potentials generated by charges of biomolecules. Topology parameters are extended to include atomic information of nucleotides of RNA and DNA, which extends the capability of pKa calculations beyond proteins. The web server allows the end-user to protonate the biomolecule at particular pH based on calculated pKa values and provides the downloadable file in PQR format. Several tests are performed to benchmark the accuracy and speed of the protocol. The web server follows a client-server architecture built on PHP and HTML and utilizes DelPhiPKa program. The computation is performed on the Palmetto supercomputer cluster and results/download links are given back to the end-user via http protocol. The web server takes advantage of MPI parallel implementation in DelPhiPKa and can run a single job on up to 24 CPUs. The DelPhiPKa web server is available at http://compbio.clemson.edu/pka_webserver. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Strohmaier, Erich; Meuer, Hans W.; Dongarra, Jack

20th Edition of TOP500 List of World's Fastest Supercomputers Released MANNHEIM, Germany; KNOXVILLE, Tenn.;&BERKELEY, Calif. In what has become a much-anticipated event in the world of high-performance computing, the 20th edition of the TOP500 list of the world's fastest supercomputers was released today (November 15, 2002). The Earth Simulator supercomputer installed earlier this year at the Earth Simulator Center in Yokohama, Japan, is with its Linpack benchmark performance of 35.86 Tflop/s (trillions of calculations per second) retains the number one position. The No.2 and No.3 positions are held by two new, identical ASCI Q systems at Los Alamos National Laboratorymore » (7.73Tflop/s each). These systems are built by Hewlett-Packard and based on the Alpha Server SC computer system.« less

STAMPS: Software Tool for Automated MRI Post-processing on a supercomputer.

PubMed

Bigler, Don C; Aksu, Yaman; Miller, David J; Yang, Qing X

2009-08-01

This paper describes a Software Tool for Automated MRI Post-processing (STAMP) of multiple types of brain MRIs on a workstation and for parallel processing on a supercomputer (STAMPS). This software tool enables the automation of nonlinear registration for a large image set and for multiple MR image types. The tool uses standard brain MRI post-processing tools (such as SPM, FSL, and HAMMER) for multiple MR image types in a pipeline fashion. It also contains novel MRI post-processing features. The STAMP image outputs can be used to perform brain analysis using Statistical Parametric Mapping (SPM) or single-/multi-image modality brain analysis using Support Vector Machines (SVMs). Since STAMPS is PBS-based, the supercomputer may be a multi-node computer cluster or one of the latest multi-core computers.

Japanese project aims at supercomputer that executes 10 gflops

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burskey, D.

1984-05-03

Dubbed supercom by its multicompany design team, the decade-long project's goal is an engineering supercomputer that can execute 10 billion floating-point operations/s-about 20 times faster than today's supercomputers. The project, guided by Japan's Ministry of International Trade and Industry (MITI) and the Agency of Industrial Science and Technology encompasses three parallel research programs, all aimed at some angle of the superconductor. One program should lead to superfast logic and memory circuits, another to a system architecture that will afford the best performance, and the last to the software that will ultimately control the computer. The work on logic and memorymore » chips is based on: GAAS circuit; Josephson junction devices; and high electron mobility transistor structures. The architecture will involve parallel processing.« less

High temporal resolution mapping of seismic noise sources using heterogeneous supercomputers

NASA Astrophysics Data System (ADS)

Gokhberg, Alexey; Ermert, Laura; Paitz, Patrick; Fichtner, Andreas

2017-04-01

Time- and space-dependent distribution of seismic noise sources is becoming a key ingredient of modern real-time monitoring of various geo-systems. Significant interest in seismic noise source maps with high temporal resolution (days) is expected to come from a number of domains, including natural resources exploration, analysis of active earthquake fault zones and volcanoes, as well as geothermal and hydrocarbon reservoir monitoring. Currently, knowledge of noise sources is insufficient for high-resolution subsurface monitoring applications. Near-real-time seismic data, as well as advanced imaging methods to constrain seismic noise sources have recently become available. These methods are based on the massive cross-correlation of seismic noise records from all available seismic stations in the region of interest and are therefore very computationally intensive. Heterogeneous massively parallel supercomputing systems introduced in the recent years combine conventional multi-core CPU with GPU accelerators and provide an opportunity for manifold increase and computing performance. Therefore, these systems represent an efficient platform for implementation of a noise source mapping solution. We present the first results of an ongoing research project conducted in collaboration with the Swiss National Supercomputing Centre (CSCS). The project aims at building a service that provides seismic noise source maps for Central Europe with high temporal resolution (days to few weeks depending on frequency and data availability). The service is hosted on the CSCS computing infrastructure; all computationally intensive processing is performed on the massively parallel heterogeneous supercomputer "Piz Daint". The solution architecture is based on the Application-as-a-Service concept in order to provide the interested external researchers the regular access to the noise source maps. The solution architecture includes the following sub-systems: (1) data acquisition responsible for collecting, on a periodic basis, raw seismic records from the European seismic networks, (2) high-performance noise source mapping application responsible for generation of source maps using cross-correlation of seismic records, (3) back-end infrastructure for the coordination of various tasks and computations, (4) front-end Web interface providing the service to the end-users and (5) data repository. The noise mapping application is composed of four principal modules: (1) pre-processing of raw data, (2) massive cross-correlation, (3) post-processing of correlation data based on computation of logarithmic energy ratio and (4) generation of source maps from post-processed data. Implementation of the solution posed various challenges, in particular, selection of data sources and transfer protocols, automation and monitoring of daily data downloads, ensuring the required data processing performance, design of a general service oriented architecture for coordination of various sub-systems, and engineering an appropriate data storage solution. The present pilot version of the service implements noise source maps for Switzerland. Extension of the solution to Central Europe is planned for the next project phase.

Japanese supercomputer technology.

PubMed

Buzbee, B L; Ewald, R H; Worlton, W J

1982-12-17

Under the auspices of the Ministry for International Trade and Industry the Japanese have launched a National Superspeed Computer Project intended to produce high-performance computers for scientific computation and a Fifth-Generation Computer Project intended to incorporate and exploit concepts of artificial intelligence. If these projects are successful, which appears likely, advanced economic and military research in the United States may become dependent on access to supercomputers of foreign manufacture.

Subject to empowerment: the constitution of power in an educational program for health professionals.

PubMed

Juritzen, Truls I; Engebretsen, Eivind; Heggen, Kristin

2013-08-01

Empowerment and user participation represents an ideal of power with a strong position in the health sector. In this article we use text analysis to investigate notions of power in a program plan for health workers focusing on empowerment. Issues addressed include: How are relationships of power between users and helpers described in the program plan? Which notions of user participation are embedded in the plan? The analysis is based on Foucault's idea that power which is made subject to attempts of redistribution will re-emerge in other forms. How this happens, and with what consequences, is our analytical concern. The analysis is contrasted with 'snapshots' from everyday life in a nursing home. The program plan communicates empowerment as a democracy-building instrument that the users need. It is a tool for providing expert assistance to the user's self-help. User participation is made into a tool which is external to the user him-/herself. Furthermore, the analysis shows that the plan's image of empowerment presupposes an 'élite user' able to articulate personal needs and desires. This is not very applicable to the most vulnerable user groups, who thereby may end up in an even weaker position. By way of conclusion, we argue that an exchange of undesirable dominating paternalism for a desirable empowerment will not abolish power, but may result in more covert and subtle forms of power that are less open to criticism. The paper offers insights that will facilitate reflections on the premises for practising empowerment-oriented health care.

Application of supercomputers to computational aerodynamics

NASA Technical Reports Server (NTRS)

Peterson, V. L.

1984-01-01

Computers are playing an increasingly important role in the field of aerodynamics such that they now serve as a major complement to wind tunnels in aerospace research and development. Factors pacing advances in computational aerodynamics are identified, including the amount of computational power required to take the next major step in the discipline. Example results obtained from the successively refined forms of the governing equations are discussed, both in the context of levels of computer power required and the degree to which they either further the frontiers of research or apply to problems of practical importance. Finally, the Numerical Aerodynamic Simulation (NAS) Program - with its 1988 target of achieving a sustained computational rate of 1 billion floating point operations per second and operating with a memory of 240 million words - is discussed in terms of its goals and its projected effect on the future of computational aerodynamics.

State of the art in electromagnetic modeling for the Compact Linear Collider

DOE Office of Scientific and Technical Information (OSTI.GOV)

Candel, Arno; Kabel, Andreas; Lee, Lie-Quan

SLAC's Advanced Computations Department (ACD) has developed the parallel 3D electromagnetic time-domain code T3P for simulations of wakefields and transients in complex accelerator structures. T3P is based on state-of-the-art Finite Element methods on unstructured grids and features unconditional stability, quadratic surface approximation and up to 6th-order vector basis functions for unprecedented simulation accuracy. Optimized for large-scale parallel processing on leadership supercomputing facilities, T3P allows simulations of realistic 3D structures with fast turn-around times, aiding the design of the next generation of accelerator facilities. Applications include simulations of the proposed two-beam accelerator structures for the Compact Linear Collider (CLIC) - wakefieldmore » damping in the Power Extraction and Transfer Structure (PETS) and power transfer to the main beam accelerating structures are investigated.« less

Multiscale Hy3S: hybrid stochastic simulation for supercomputers.

PubMed

Salis, Howard; Sotiropoulos, Vassilios; Kaznessis, Yiannis N

2006-02-24

Stochastic simulation has become a useful tool to both study natural biological systems and design new synthetic ones. By capturing the intrinsic molecular fluctuations of "small" systems, these simulations produce a more accurate picture of single cell dynamics, including interesting phenomena missed by deterministic methods, such as noise-induced oscillations and transitions between stable states. However, the computational cost of the original stochastic simulation algorithm can be high, motivating the use of hybrid stochastic methods. Hybrid stochastic methods partition the system into multiple subsets and describe each subset as a different representation, such as a jump Markov, Poisson, continuous Markov, or deterministic process. By applying valid approximations and self-consistently merging disparate descriptions, a method can be considerably faster, while retaining accuracy. In this paper, we describe Hy3S, a collection of multiscale simulation programs. Building on our previous work on developing novel hybrid stochastic algorithms, we have created the Hy3S software package to enable scientists and engineers to both study and design extremely large well-mixed biological systems with many thousands of reactions and chemical species. We have added adaptive stochastic numerical integrators to permit the robust simulation of dynamically stiff biological systems. In addition, Hy3S has many useful features, including embarrassingly parallelized simulations with MPI; special discrete events, such as transcriptional and translation elongation and cell division; mid-simulation perturbations in both the number of molecules of species and reaction kinetic parameters; combinatorial variation of both initial conditions and kinetic parameters to enable sensitivity analysis; use of NetCDF optimized binary format to quickly read and write large datasets; and a simple graphical user interface, written in Matlab, to help users create biological systems and analyze data. We demonstrate the accuracy and efficiency of Hy3S with examples, including a large-scale system benchmark and a complex bistable biochemical network with positive feedback. The software itself is open-sourced under the GPL license and is modular, allowing users to modify it for their own purposes. Hy3S is a powerful suite of simulation programs for simulating the stochastic dynamics of networks of biochemical reactions. Its first public version enables computational biologists to more efficiently investigate the dynamics of realistic biological systems.

Aviation Research and the Internet

NASA Technical Reports Server (NTRS)

Scott, Antoinette M.

1995-01-01

The Internet is a network of networks. It was originally funded by the Defense Advanced Research Projects Agency or DOD/DARPA and evolved in part from the connection of supercomputer sites across the United States. The National Science Foundation (NSF) made the most of their supercomputers by connecting the sites to each other. This made the supercomputers more efficient and now allows scientists, engineers and researchers to access the supercomputers from their own labs and offices. The high speed networks that connect the NSF supercomputers form the backbone of the Internet. The World Wide Web (WWW) is a menu system. It gathers Internet resources from all over the world into a series of screens that appear on your computer. The WWW is also a distributed. The distributed system stores data information on many computers (servers). These servers can go out and get data when you ask for it. Hypermedia is the base of the WWW. One can 'click' on a section and visit other hypermedia (pages). Our approach to demonstrating the importance of aviation research through the Internet began with learning how to put pages on the Internet (on-line) ourselves. We were assigned two aviation companies; Vision Micro Systems Inc. and Innovative Aerodynamic Technologies (IAT). We developed home pages for these SBIR companies. The equipment used to create the pages were the UNIX and Macintosh machines. HTML Supertext software was used to write the pages and the Sharp JX600S scanner to scan the images. As a result, with the use of the UNIX, Macintosh, Sun, PC, and AXIL machines, we were able to present our home pages to over 800,000 visitors.

Enabling Diverse Software Stacks on Supercomputers using High Performance Virtual Clusters.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Younge, Andrew J.; Pedretti, Kevin; Grant, Ryan

While large-scale simulations have been the hallmark of the High Performance Computing (HPC) community for decades, Large Scale Data Analytics (LSDA) workloads are gaining attention within the scientific community not only as a processing component to large HPC simulations, but also as standalone scientific tools for knowledge discovery. With the path towards Exascale, new HPC runtime systems are also emerging in a way that differs from classical distributed com- puting models. However, system software for such capabilities on the latest extreme-scale DOE supercomputing needs to be enhanced to more appropriately support these types of emerging soft- ware ecosystems. In thismore » paper, we propose the use of Virtual Clusters on advanced supercomputing resources to enable systems to support not only HPC workloads, but also emerging big data stacks. Specifi- cally, we have deployed the KVM hypervisor within Cray's Compute Node Linux on a XC-series supercomputer testbed. We also use libvirt and QEMU to manage and provision VMs directly on compute nodes, leveraging Ethernet-over-Aries network emulation. To our knowledge, this is the first known use of KVM on a true MPP supercomputer. We investigate the overhead our solution using HPC benchmarks, both evaluating single-node performance as well as weak scaling of a 32-node virtual cluster. Overall, we find single node performance of our solution using KVM on a Cray is very efficient with near-native performance. However overhead increases by up to 20% as virtual cluster size increases, due to limitations of the Ethernet-over-Aries bridged network. Furthermore, we deploy Apache Spark with large data analysis workloads in a Virtual Cluster, ef- fectively demonstrating how diverse software ecosystems can be supported by High Performance Virtual Clusters.« less

Reliable High Performance Peta- and Exa-Scale Computing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bronevetsky, G

2012-04-02

As supercomputers become larger and more powerful, they are growing increasingly complex. This is reflected both in the exponentially increasing numbers of components in HPC systems (LLNL is currently installing the 1.6 million core Sequoia system) as well as the wide variety of software and hardware components that a typical system includes. At this scale it becomes infeasible to make each component sufficiently reliable to prevent regular faults somewhere in the system or to account for all possible cross-component interactions. The resulting faults and instability cause HPC applications to crash, perform sub-optimally or even produce erroneous results. As supercomputers continuemore » to approach Exascale performance and full system reliability becomes prohibitively expensive, we will require novel techniques to bridge the gap between the lower reliability provided by hardware systems and users unchanging need for consistent performance and reliable results. Previous research on HPC system reliability has developed various techniques for tolerating and detecting various types of faults. However, these techniques have seen very limited real applicability because of our poor understanding of how real systems are affected by complex faults such as soft fault-induced bit flips or performance degradations. Prior work on such techniques has had very limited practical utility because it has generally focused on analyzing the behavior of entire software/hardware systems both during normal operation and in the face of faults. Because such behaviors are extremely complex, such studies have only produced coarse behavioral models of limited sets of software/hardware system stacks. Since this provides little insight into the many different system stacks and applications used in practice, this work has had little real-world impact. My project addresses this problem by developing a modular methodology to analyze the behavior of applications and systems during both normal and faulty operation. By synthesizing models of individual components into a whole-system behavior models my work is making it possible to automatically understand the behavior of arbitrary real-world systems to enable them to tolerate a wide range of system faults. My project is following a multi-pronged research strategy. Section II discusses my work on modeling the behavior of existing applications and systems. Section II.A discusses resilience in the face of soft faults and Section II.B looks at techniques to tolerate performance faults. Finally Section III presents an alternative approach that studies how a system should be designed from the ground up to make resilience natural and easy.« less

The VERCE platform: Enabling Computational Seismology via Streaming Workflows and Science Gateways

NASA Astrophysics Data System (ADS)

Spinuso, Alessandro; Filgueira, Rosa; Krause, Amrey; Matser, Jonas; Casarotti, Emanuele; Magnoni, Federica; Gemund, Andre; Frobert, Laurent; Krischer, Lion; Atkinson, Malcolm

2015-04-01

The VERCE project is creating an e-Science platform to facilitate innovative data analysis and coding methods that fully exploit the wealth of data in global seismology. One of the technologies developed within the project is the Dispel4Py python library, which allows to describe abstract stream-based workflows for data-intensive applications and to execute them in a distributed environment. At runtime Dispel4Py is able to map workflow descriptions dynamically onto a number of computational resources (Apache Storm clusters, MPI powered clusters, and shared-memory multi-core machines, single-core machines), setting it apart from other workflow frameworks. Therefore, Dispel4Py enables scientists to focus on their computation instead of being distracted by details of the computing infrastructure they use. Among the workflows developed with Dispel4Py in VERCE, we mention here those for Seismic Ambient Noise Cross-Correlation and MISFIT calculation, which address two data-intensive problems that are common in computational seismology. The former, also called Passive Imaging, allows the detection of relative seismic-wave velocity variations during the time of recording, to be associated with the stress-field changes that occurred in the test area. The MISFIT instead, takes as input the synthetic seismograms generated from HPC simulations for a certain Earth model and earthquake and, after a preprocessing stage, compares them with real observations in order to foster subsequent model updates and improvement (Inversion). The VERCE Science Gateway exposes the MISFIT calculation workflow as a service, in combination with the simulation phase. Both phases can be configured, controlled and monitored by the user via a rich user interface which is integrated within the gUSE Science Gateway framework, hiding the complexity of accessing third parties data services, security mechanisms and enactment on the target resources. Thanks to a modular extension to the Dispel4Py framework, the system collects provenance data adopting the W3C-PROV data model. Provenance recordings can be explored and analysed at run time for rapid diagnostic and workflow steering, or later for further validation and comparisons across runs. We will illustrate the interactive services of the gateway and the capabilities of the produced metadata, coupled with the VERCE data management layer based on iRODS. The Cross-Correlation workflow was evaluated on SuperMUC, a supercomputing cluster at the Leibniz Supercomputing Centre in Munich, with 155,656 processor cores in 9400 compute nodes. SuperMUC is based on the Intel Xeon architecture consisting of 18 Thin Node Islands and one Fat Node Island. This work has only had access to the Thin Node Islands, which contain Sandy Bridge nodes, each having 16 cores and 32 GB of memory. In the evaluations we used 1000 stations, and we applied two types of methods (whiten and non-whiten) for pre-processing the data. The workflow was tested on a varying number of cores (16, 32, 64, 128, and 256 cores) using the MPI mapping of Dispel4Py. The results show that Dispel4Py is able to improve the performance by increasing the number of cores without changing the description of the workflow.

Improvements to the ICRH antenna time-domain 3D plasma simulation model

NASA Astrophysics Data System (ADS)

Smithe, David N.; Jenkins, Thomas G.; King, J. R.

2015-12-01

We present a summary of ongoing improvements to the 3D time-domain plasma modeling software that has been used to look at ICRH antennas on Alcator C-Mod, NSTX, and ITER [1]. Our past investigations have shown that in low density cases where the slow wave is propagating, strong amplitude lower hybrid resonant fields can occur. Such a scenario could result in significant parasitic power loss in the SOL. The primary resonance broadening in this case is likely collisions with neutral gas, and thus we are upgrading the model to include realistic neutral gas in the SOL, in order to provide a better understanding of energy balance in these situations. Related to this, we are adding a temporal variation capability to the local plasma density in front of the antenna in order to investigate whether the near fields of the antenna could modify the local density sufficiently to initiate a low density situation. We will start with a simple scalar ponderomotive potential density expulsion model [2] for the density evolution, but are also looking to eventually couple to a more complex fluid treatment that would include tensor pressures and convective physics and sources of neutrals and ionization. We also review continued benchmarking efforts, and ongoing and planned improvements to the computational algorithms, resulting from experience gained during our recent supercomputing runs on the Titan supercomputer, including GPU operations.

Power mobility with collision avoidance for older adults: user, caregiver, and prescriber perspectives.

PubMed

Wang, Rosalie H; Korotchenko, Alexandra; Hurd Clarke, Laura; Mortenson, W Ben; Mihailidis, Alex

2013-01-01

Collision avoidance technology has the capacity to facilitate safer mobility among older power mobility users with physical, sensory, and cognitive impairments, thus enabling independence for more users. Little is known about consumers' perceptions of collision avoidance. This article draws on interviews (29 users, 5 caregivers, and 10 prescribers) to examine views on design and utilization of this technology. Data analysis identified three themes: "useful situations or contexts," "technology design issues and real-life application," and "appropriateness of collision avoidance technology for a variety of users." Findings support ongoing development of collision avoidance for older adult users. The majority of participants supported the technology and felt that it might benefit current users and users with visual impairments, but might be unsuitable for people with significant cognitive impairments. Some participants voiced concerns regarding the risk for injury with power mobility use and some identified situations where collision avoidance might be beneficial (driving backward, avoiding dynamic obstacles, negotiating outdoor barriers, and learning power mobility use). Design issues include the need for context awareness, reliability, and user interface specifications. User desire to maintain driving autonomy supports development of collaboratively controlled systems. This research lays the groundwork for future development by illustrating consumer requirements for this technology.

CFD applications: The Lockheed perspective

NASA Technical Reports Server (NTRS)

Miranda, Luis R.

1987-01-01

The Numerical Aerodynamic Simulator (NAS) epitomizes the coming of age of supercomputing and opens exciting horizons in the world of numerical simulation. An overview of supercomputing at Lockheed Corporation in the area of Computational Fluid Dynamics (CFD) is presented. This overview will focus on developments and applications of CFD as an aircraft design tool and will attempt to present an assessment, withing this context, of the state-of-the-art in CFD methodology.

Computational mechanics analysis tools for parallel-vector supercomputers

NASA Technical Reports Server (NTRS)

Storaasli, Olaf O.; Nguyen, Duc T.; Baddourah, Majdi; Qin, Jiangning

1993-01-01

Computational algorithms for structural analysis on parallel-vector supercomputers are reviewed. These parallel algorithms, developed by the authors, are for the assembly of structural equations, 'out-of-core' strategies for linear equation solution, massively distributed-memory equation solution, unsymmetric equation solution, general eigensolution, geometrically nonlinear finite element analysis, design sensitivity analysis for structural dynamics, optimization search analysis and domain decomposition. The source code for many of these algorithms is available.

A Layered Solution for Supercomputing Storage

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grider, Gary

To solve the supercomputing challenge of memory keeping up with processing speed, a team at Los Alamos National Laboratory developed two innovative memory management and storage technologies. Burst buffers peel off data onto flash memory to support the checkpoint/restart paradigm of large simulations. MarFS adds a thin software layer enabling a new tier for campaign storage—based on inexpensive, failure-prone disk drives—between disk drives and tape archives.

A Heterogeneous High-Performance System for Computational and Computer Science

DTIC Science & Technology

2016-11-15

Patents Submitted Patents Awarded Awards Graduate Students Names of Post Doctorates Names of Faculty Supported Names of Under Graduate students supported...team of research faculty from the departments of computer science and natural science at Bowie State University. The supercomputer is not only to...accelerated HPC systems. The supercomputer is also ideal for the research conducted in the Department of Natural Science, as research faculty work on

Advanced Numerical Techniques of Performance Evaluation. Volume 1

DTIC Science & Technology

1990-06-01

system scheduling3thread. The scheduling thread then runs any other ready thread that can be found. A thread can only sleep or switch out on itself...Polychronopoulos and D.J. Kuck. Guided Self- Scheduling : A Practical Scheduling Scheme for Parallel Supercomputers. IEEE Transactions on Computers C...Kuck 1987] C.D. Polychronopoulos and D.J. Kuck. Guided Self- Scheduling : A Practical Scheduling Scheme for Parallel Supercomputers. IEEE Trans. on Comp

2011 Computation Directorate Annual Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Crawford, D L

2012-04-11

From its founding in 1952 until today, Lawrence Livermore National Laboratory (LLNL) has made significant strategic investments to develop high performance computing (HPC) and its application to national security and basic science. Now, 60 years later, the Computation Directorate and its myriad resources and capabilities have become a key enabler for LLNL programs and an integral part of the effort to support our nation's nuclear deterrent and, more broadly, national security. In addition, the technological innovation HPC makes possible is seen as vital to the nation's economic vitality. LLNL, along with other national laboratories, is working to make supercomputing capabilitiesmore » and expertise available to industry to boost the nation's global competitiveness. LLNL is on the brink of an exciting milestone with the 2012 deployment of Sequoia, the National Nuclear Security Administration's (NNSA's) 20-petaFLOP/s resource that will apply uncertainty quantification to weapons science. Sequoia will bring LLNL's total computing power to more than 23 petaFLOP/s-all brought to bear on basic science and national security needs. The computing systems at LLNL provide game-changing capabilities. Sequoia and other next-generation platforms will enable predictive simulation in the coming decade and leverage industry trends, such as massively parallel and multicore processors, to run petascale applications. Efficient petascale computing necessitates refining accuracy in materials property data, improving models for known physical processes, identifying and then modeling for missing physics, quantifying uncertainty, and enhancing the performance of complex models and algorithms in macroscale simulation codes. Nearly 15 years ago, NNSA's Accelerated Strategic Computing Initiative (ASCI), now called the Advanced Simulation and Computing (ASC) Program, was the critical element needed to shift from test-based confidence to science-based confidence. Specifically, ASCI/ASC accelerated the development of simulation capabilities necessary to ensure confidence in the nuclear stockpile-far exceeding what might have been achieved in the absence of a focused initiative. While stockpile stewardship research pushed LLNL scientists to develop new computer codes, better simulation methods, and improved visualization technologies, this work also stimulated the exploration of HPC applications beyond the standard sponsor base. As LLNL advances to a petascale platform and pursues exascale computing (1,000 times faster than Sequoia), ASC will be paramount to achieving predictive simulation and uncertainty quantification. Predictive simulation and quantifying the uncertainty of numerical predictions where little-to-no data exists demands exascale computing and represents an expanding area of scientific research important not only to nuclear weapons, but to nuclear attribution, nuclear reactor design, and understanding global climate issues, among other fields. Aside from these lofty goals and challenges, computing at LLNL is anything but 'business as usual.' International competition in supercomputing is nothing new, but the HPC community is now operating in an expanded, more aggressive climate of global competitiveness. More countries understand how science and technology research and development are inextricably linked to economic prosperity, and they are aggressively pursuing ways to integrate HPC technologies into their native industrial and consumer products. In the interest of the nation's economic security and the science and technology that underpins it, LLNL is expanding its portfolio and forging new collaborations. We must ensure that HPC remains an asymmetric engine of innovation for the Laboratory and for the U.S. and, in doing so, protect our research and development dynamism and the prosperity it makes possible. One untapped area of opportunity LLNL is pursuing is to help U.S. industry understand how supercomputing can benefit their business. Industrial investment in HPC applications has historically been limited by the prohibitive cost of entry, the inaccessibility of software to run the powerful systems, and the years it takes to grow the expertise to develop codes and run them in an optimal way. LLNL is helping industry better compete in the global market place by providing access to some of the world's most powerful computing systems, the tools to run them, and the experts who are adept at using them. Our scientists are collaborating side by side with industrial partners to develop solutions to some of industry's toughest problems. The goal of the Livermore Valley Open Campus High Performance Computing Innovation Center is to allow American industry the opportunity to harness the power of supercomputing by leveraging the scientific and computational expertise at LLNL in order to gain a competitive advantage in the global economy.« less

Next Generation Seismic Imaging; High Fidelity Algorithms and High-End Computing

NASA Astrophysics Data System (ADS)

Bevc, D.; Ortigosa, F.; Guitton, A.; Kaelin, B.

2007-05-01

The rich oil reserves of the Gulf of Mexico are buried in deep and ultra-deep waters up to 30,000 feet from the surface. Minerals Management Service (MMS), the federal agency in the U.S. Department of the Interior that manages the nation's oil, natural gas and other mineral resources on the outer continental shelf in federal offshore waters, estimates that the Gulf of Mexico holds 37 billion barrels of "undiscovered, conventionally recoverable" oil, which, at 50/barrel, would be worth approximately 1.85 trillion. These reserves are very difficult to find and reach due to the extreme depths. Technological advances in seismic imaging represent an opportunity to overcome this obstacle by providing more accurate models of the subsurface. Among these technological advances, Reverse Time Migration (RTM) yields the best possible images. RTM is based on the solution of the two-way acoustic wave-equation. This technique relies on the velocity model to image turning waves. These turning waves are particularly important to unravel subsalt reservoirs and delineate salt-flanks, a natural trap for oil and gas. Because it relies on an accurate velocity model, RTM opens new frontier in designing better velocity estimation algorithms. RTM has been widely recognized as the next chapter in seismic exploration, as it can overcome the limitations of current migration methods in imaging complex geologic structures that exist in the Gulf of Mexico. The chief impediment to the large-scale, routine deployment of RTM has been a lack of sufficient computer power. RTM needs thirty times the computing power used in exploration today to be commercially viable and widely usable. Therefore, advancing seismic imaging to the next level of precision poses a multi-disciplinary challenge. To overcome these challenges, the Kaleidoscope project, a partnership between Repsol YPF, Barcelona Supercomputing Center, 3DGeo Inc., and IBM brings together the necessary components of modeling, algorithms and the uniquely powerful computing power of the MareNostrum supercomputer in Barcelona to realize the promise of RTM, incorporate it into daily processing flows, and to help solve exploration problems in a highly cost-effective way. Uniquely, the Kaleidoscope Project is simultaneously integrating software (algorithms) and hardware (Cell BE), steps that are traditionally taken sequentially. This unique integration of software and hardware will accelerate seismic imaging by several orders of magnitude compared to conventional solutions running on standard Linux Clusters.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fang, Aiman; Laguna, Ignacio; Sato, Kento

Future high-performance computing systems may face frequent failures with their rapid increase in scale and complexity. Resilience to faults has become a major challenge for large-scale applications running on supercomputers, which demands fault tolerance support for prevalent MPI applications. Among failure scenarios, process failures are one of the most severe issues as they usually lead to termination of applications. However, the widely used MPI implementations do not provide mechanisms for fault tolerance. We propose FTA-MPI (Fault Tolerance Assistant MPI), a programming model that provides support for failure detection, failure notification and recovery. Specifically, FTA-MPI exploits a try/catch model that enablesmore » failure localization and transparent recovery of process failures in MPI applications. We demonstrate FTA-MPI with synthetic applications and a molecular dynamics code CoMD, and show that FTA-MPI provides high programmability for users and enables convenient and flexible recovery of process failures.« less

Create full-scale predictive economic models on ROI and innovation with performance computing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Joseph, Earl C.; Conway, Steve

The U.S. Department of Energy (DOE), the world's largest buyer and user of supercomputers, awarded IDC Research, Inc. a grant to create two macroeconomic models capable of quantifying, respectively, financial and non-financial (innovation) returns on investments in HPC resources. Following a 2013 pilot study in which we created the models and tested them on about 200 real-world HPC cases, DOE authorized us to conduct a full-out, three-year grant study to collect and measure many more examples, a process that would also subject the methodology to further testing and validation. A secondary, "stretch" goal of the full-out study was to advancemore » the methodology from association toward (but not all the way to) causation, by eliminating the effects of some of the other factors that might be contributing, along with HPC investments, to the returns produced in the investigated projects.« less

National information infrastructure (NII) at supercomputing `93

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shay, H.D.

1993-12-31

The author anticipates that NII will actually encompass many different kinds of institutions and enterprises. The kinds of players may be technology providers (hardware or software), carriers (telcos), service providers (libraries, etc.), regulators, or users. The spectrum of possible NII functions includes digital libraries, education, health services, and enterprise integration. The participating institutions comprise federal, state, and local governments, educational systems, GOCO laboratories, commercial enterprises, regulated utilities, and individual citizens. The level of NII technology will be both high and low. Some aspects of NII are actively being implemented today, and other will not commence for several years. The relevantmore » issues span a gamut as broad as any public policy arena: politics, commercial profitability, laws and regulations, national well-being, sociology, and technology. This panel discussion juxtaposes individuals responsible for driving radically different kinds of NII-like activities. The intent is to explore the many aspects of NII by contrasting their perspectives.« less

Subaru Telescope Network III (STN-III): more effective, more operation-oriented, and more inexpensive solutions for the observatory's needs

NASA Astrophysics Data System (ADS)

Noumaru, Junichi; Kawai, Jun A.; Schubert, Kiaina; Yagi, Masafumi; Takata, Tadafumi; Winegar, Tom; Scanlon, Tim; Nishida, Takuhiro; Fox, Camron; Hayasaka, James; Forester, Jason; Uchida, Kenji; Nakamura, Isamu; Tom, Richard; Koura, Norikazu; Yamamoto, Tadahiro; Tanoue, Toshiya; Yamada, Toru

2008-07-01

Subaru Telescope has recently replaced most equipment of Subaru Telescope Network II with the new equipment which includes 124TB of RAID system for data archive. Switching the data storage from tape to RAID enables users to access the data faster. The STN-III dropped some important components of STN-II, such as supercomputers, development & testing subsystem for Subaru Observation Control System, or data processing subsystem. On the other hand, we invested more computers to the remote operation system. Thanks to IT innovations, our LAN as well as the network between Hilo and summit were upgraded to gigabit network at the similar or even reduced cost from the previous system. As the result of the redesigning of the computer system by more focusing on the observatory operation, we greatly reduced the total cost for computer rental, purchase and maintenance.

Real-Time Simulation

NASA Technical Reports Server (NTRS)

1997-01-01

Coryphaeus Software, founded in 1989 by former NASA electronic engineer Steve Lakowske, creates real-time 3D software. Designer's Workbench, the company flagship product, is a modeling and simulation tool for the development of both static and dynamic 3D databases. Other products soon followed. Activation, specifically designed for game developers, allows developers to play and test the 3D games before they commit to a target platform. Game publishers can shorten development time and prove the "playability" of the title, maximizing their chances of introducing a smash hit. Another product, EasyT, lets users create massive, realistic representation of Earth terrains that can be viewed and traversed in real time. Finally, EasyScene software control the actions among interactive objects within a virtual world. Coryphaeus products are used on Silican Graphics workstation and supercomputers to simulate real-world performance in synthetic environments. Customers include aerospace, aviation, architectural and engineering firms, game developers, and the entertainment industry.

Template Interfaces for Agile Parallel Data-Intensive Science

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ramakrishnan, Lavanya; Gunter, Daniel; Pastorello, Gilerto Z.

Tigres provides a programming library to compose and execute large-scale data-intensive scientific workflows from desktops to supercomputers. DOE User Facilities and large science collaborations are increasingly generating large enough data sets that it is no longer practical to download them to a desktop to operate on them. They are instead stored at centralized compute and storage resources such as high performance computing (HPC) centers. Analysis of this data requires an ability to run on these facilities, but with current technologies, scaling an analysis to an HPC center and to a large data set is difficult even for experts. Tigres ismore » addressing the challenge of enabling collaborative analysis of DOE Science data through a new concept of reusable "templates" that enable scientists to easily compose, run and manage collaborative computational tasks. These templates define common computation patterns used in analyzing a data set.« less

The new program OPAL for molecular dynamics simulations and energy refinements of biological macromolecules.

PubMed

Luginbühl, P; Güntert, P; Billeter, M; Wüthrich, K

1996-09-01

A new program for molecular dynamics (MD) simulation and energy refinement of biological macromolecules, OPAL, is introduced. Combined with the supporting program TRAJEC for the analysis of MD trajectories, OPAL affords high efficiency and flexibility for work with different force fields, and offers a user-friendly interface and extensive trajectory analysis capabilities. Salient features are computational speeds of up to 1.5 GFlops on vector supercomputers such as the NEC SX-3, ellipsoidal boundaries to reduce the system size for studies in explicit solvents, and natural treatment of the hydrostatic pressure. Practical applications of OPAL are illustrated with MD simulations of pure water, energy minimization of the NMR structure of the mixed disulfide of a mutant E. coli glutaredoxin with glutathione in different solvent models, and MD simulations of a small protein, pheromone Er-2, using either instantaneous or time-averaged NMR restraints, or no restraints.

ls1 mardyn: The Massively Parallel Molecular Dynamics Code for Large Systems.

PubMed

Niethammer, Christoph; Becker, Stefan; Bernreuther, Martin; Buchholz, Martin; Eckhardt, Wolfgang; Heinecke, Alexander; Werth, Stephan; Bungartz, Hans-Joachim; Glass, Colin W; Hasse, Hans; Vrabec, Jadran; Horsch, Martin

2014-10-14

The molecular dynamics simulation code ls1 mardyn is presented. It is a highly scalable code, optimized for massively parallel execution on supercomputing architectures and currently holds the world record for the largest molecular simulation with over four trillion particles. It enables the application of pair potentials to length and time scales that were previously out of scope for molecular dynamics simulation. With an efficient dynamic load balancing scheme, it delivers high scalability even for challenging heterogeneous configurations. Presently, multicenter rigid potential models based on Lennard-Jones sites, point charges, and higher-order polarities are supported. Due to its modular design, ls1 mardyn can be extended to new physical models, methods, and algorithms, allowing future users to tailor it to suit their respective needs. Possible applications include scenarios with complex geometries, such as fluids at interfaces, as well as nonequilibrium molecular dynamics simulation of heat and mass transfer.

Essential issues in multiprocessor systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gajski, D.D.; Peir, J.K.

1985-06-01

During the past several years, a great number of proposals have been made with the objective to increase supercomputer performance by an order of magnitude on the basis of a utilization of new computer architectures. The present paper is concerned with a suitable classification scheme for comparing these architectures. It is pointed out that there are basically four schools of thought as to the most important factor for an enhancement of computer performance. According to one school, the development of faster circuits will make it possible to retain present architectures, except, possibly, for a mechanism providing synchronization of parallel processes.more » A second school assigns priority to the optimization and vectorization of compilers, which will detect parallelism and help users to write better parallel programs. A third school believes in the predominant importance of new parallel algorithms, while the fourth school supports new models of computation. The merits of the four approaches are critically evaluated. 50 references.« less

User interface design principles for the SSM/PMAD automated power system

NASA Technical Reports Server (NTRS)

Jakstas, Laura M.; Myers, Chris J.

1991-01-01

Martin Marietta has developed a user interface for the space station module power management and distribution (SSM/PMAD) automated power system testbed which provides human access to the functionality of the power system, as well as exemplifying current techniques in user interface design. The testbed user interface was designed to enable an engineer to operate the system easily without having significant knowledge of computer systems, as well as provide an environment in which the engineer can monitor and interact with the SSM/PMAD system hardware. The design of the interface supports a global view of the most important data from the various hardware and software components, as well as enabling the user to obtain additional or more detailed data when needed. The components and representations of the SSM/PMAD testbed user interface are examined. An engineer's interactions with the system are also described.

Power Mobility with Collision Avoidance for Older Adults: User, Caregiver and Prescriber Perspectives

PubMed Central

Wang, Rosalie H; Korotchenko, Alexandra; Clarke, Laura Hurd; Ben Mortenson, W; Mihailidis, Alex

2017-01-01

Collision avoidance technology has the capacity to facilitate safer mobility among older power mobility users with physical, sensory and cognitive impairments, thus enabling independence for more potential users. However, little is known about consumers’ perceptions of collision avoidance. This article draws on interviews with 29 users, five caregivers, and 10 prescribers to examine views on the design and utilization of this technology. Data analysis identified three themes: “useful situations or contexts”, “technology design issues and real life application”, and “appropriateness of collision avoidance technology for a variety of users”. Findings support the ongoing development of collision avoidance for older adult users. The majority of participants were supportive of the technology, and felt that it might benefit current power mobility users and users with visual impairments, but might be unsuitable for people with significant cognitive impairments. Some participants voiced concerns regarding the risk for injury with power mobility use and some identified situations where collision avoidance might be beneficial (driving backwards, avoiding dynamic obstacles, negotiating outdoor barriers, and learning power mobility use). Design issues include the need for context awareness, reliability, and user interface specifications. Furthermore, user desire to maintain driving autonomy indicates the need to develop collaboratively-controlled systems. This research lays the groundwork for future development by identifying and illustrating consumer needs for this technology. PMID:24458968

Wheelchair users' perceptions of and experiences with power assist wheels.

PubMed

Giacobbi, Peter R; Levy, Charles E; Dietrich, Frederick D; Winkler, Sandra Hubbard; Tillman, Mark D; Chow, John W

2010-03-01

To assess wheelchair users' perceptions of and experiences with power assist wheels using qualitative interview methods. Qualitative evaluations were conducted in a laboratory setting with a focus on users' experiences using power assist wheel in their naturalistic environments. Participants consisted of seven women and 13 men (M(age) = 42.75, SD = 14.68) that included one African American, one Hispanic, 17 whites, and one individual from Zambia. Qualitative interviews were conducted before, during, and after use of a power assist wheel. Main outcome measures included the wheelchair users' evaluations and experiences related to the use of power assist wheels. The primary evaluations included wheeling on challenging terrains, performance of novel activities, social/family aspects, fatigue, and pain. These descriptions indicated that most participants perceived positive experiences with the power assist wheels, including access to new and different activities. Secondary evaluations indicated that the unit was cumbersome and prohibitive for some participants because of difficulties with transport in and out of a vehicle and battery life. Most participants felt that power assist wheels provided more independence and social opportunities. The power assist wheel seems to offer physical and social benefits for most wheelers. Clinicians should consider users' home environment and overall life circumstances before prescribing.

Petaflops router

DOEpatents

Baker, Zachary Kent; Power, John Fredrick; Tripp, Justin Leonard; Dunham, Mark Edward; Stettler, Matthew W; Jones, John Alexander

2014-10-14

Disclosed is a method and system for performing operations on at least one input data vector in order to produce at least one output vector to permit easy, scalable and fast programming of a petascale equivalent supercomputer. A PetaFlops Router may comprise one or more PetaFlops Nodes, which may be connected to each other and/or external data provider/consumers via a programmable crossbar switch external to the PetaFlops Node. Each PetaFlops Node has a FPGA and a programmable intra-FPGA crossbar switch that permits input and output variables to be configurably connected to various physical operators contained in the FPGA as desired by a user. This allows a user to specify the instruction set of the system on a per-application basis. Further, the intra-FPGA crossbar switch permits the output of one operation to be delivered as an input to a second operation. By configuring the external crossbar switch, the output of a first operation on a first PetaFlops Node may be used as the input for a second operation on a second PetaFlops Node. An embodiment may provide an ability for the system to recognize and generate pipelined functions. Streaming operators may be connected together at run-time and appropriately staged to allow data to flow through a series of functions. This allows the system to provide high throughput and parallelism when possible. The PetaFlops Router may implement the user desired instructions by appropriately configuring the intra-FPGA crossbar switch on each PetaFlops Node and the external crossbar switch.

Development of ISO connection-oriented/correctionless gateways

NASA Technical Reports Server (NTRS)

Landweber, Lawrence H.

1991-01-01

The project had two goals, establishment of a gateway between French and U.S. academic networks and studies of issues related to the development of ISO connection-oriented/connectionless (CO/CL) gateways. The first component involved installation of a 56K bps line between Princeton Univ. and INRIA in France. The end-points of these lines were connected by Vitalink link level bridges. The Princeton end was then connected to the NSFNET via the John Von Neumann Supercomputer Center. The French end was connected to Transpac, the French X.25 public data network and to the French IP research internet. U.S. users may communicate with users of the French internet by e-mail and may access computational and data resources in France by use of remote login and file transfer. The connection to Transpac enables U.S. users to access the SIMBAD astronomical database outside of Paris. Access to this database from the U.S. can be via TCP/IP or DECNET (via a DECNET to TCP/IP gateway) protocols utilizing a TCP/IP to X.25 gateway developed and operated by INRIA. The second component of the project involved experiments aimed at understanding the issues involved is ISO CO/CL gateways. An experimental gateway was developed at Wisconsin and a preliminary report was prepared. Because of the need to devote most resources to the first component of the project, work in this area did not go beyond development of a prototype gateway.

The VLab repository of thermodynamics and thermoelastic properties of minerals

NASA Astrophysics Data System (ADS)

Da Silveira, P. R.; Sarkar, K.; Wentzcovitch, R. M.; Shukla, G.; Lindemann, W.; Wu, Z.

2015-12-01

Thermodynamics and thermoelastic properties of minerals at planetary interior conditions are essential as input for geodynamics simulations and for interpretation of seismic tomography models. Precise experimental determination of these properties at such extreme conditions is very challenging. Therefore, ab initio calculations play an essential role in this context, but at the cost of great computational effort and memory use. Setting up a widely accessible and versatile mineral physics database can relax unnecessary repetition of such computationally intensive calculations. Access to such data facilitates transactional interaction across fields and can advance more quickly insights about deep Earth processes. Hosted by the Minnesota Supercomputing Institute, the Virtual Laboratory for Earth and Planetary Materials (VLab) was designed to develop and promote the theory of planetary materials using distributed, high-throughput quantum calculations. VLab hosts an interactive database of thermodynamics and thermoelastic properties or minerals computed by ab initio. Such properties can be obtained according to user's preference. The database is accompanied by interactive visualization tools, allowing users to repeat and build upon previously published results. Using VLab2015, we have evaluated thermoelastic properties, such as elastic coefficients (Cij), Voigt, Reuss, and Voigt-Reuss-Hill aggregate averages for bulk (K) and shear modulus (G), shear wave velocity (VS), longitudinal wave velocity (Vp), and bulk sound velocity (V0) for several important minerals. Developed web services are general and can be used for crystals of any symmetry. Results can be tabulated, plotted, or downloaded from the VLab website according to user's preference.

Virtual Sensors in a Web 2.0 Digital Watershed

NASA Astrophysics Data System (ADS)

Liu, Y.; Hill, D. J.; Marini, L.; Kooper, R.; Rodriguez, A.; Myers, J. D.

2008-12-01

The lack of rainfall data in many watersheds is one of the major barriers for modeling and studying many environmental and hydrological processes and supporting decision making. There are just not enough rain gages on the ground. To overcome this data scarcity issue, a Web 2.0 digital watershed is developed at NCSA(National Center for Supercomputing Applications), where users can point-and-click on a web-based google map interface and create new precipitation virtual sensors at any location within the same coverage region as a NEXRAD station. A set of scientific workflows are implemented to perform spatial, temporal and thematic transformations to the near-real-time NEXRAD Level II data. Such workflows can be triggered by the users' actions and generate either rainfall rate or rainfall accumulation streaming data at a user-specified time interval. We will discuss some underlying components of this digital watershed, which consists of a semantic content management middleware, a semantically enhanced streaming data toolkit, virtual sensor management functionality, and RESTful (REpresentational State Transfer) web service that can trigger the workflow execution. Such loosely coupled architecture presents a generic framework for constructing a Web 2.0 style digital watershed. An implementation of this architecture at the Upper Illinois Rive Basin will be presented. We will also discuss the implications of the virtual sensor concept for the broad environmental observatory community and how such concept will help us move towards a participatory digital watershed.

Fortran for the nineties

NASA Technical Reports Server (NTRS)

Himer, J. T.

1992-01-01

Fortran has largely enjoyed prominence for the past few decades as the computer programming language of choice for numerically intensive scientific, engineering, and process control applications. Fortran's well understood static language syntax has allowed resulting parsers and compiler optimizing technologies to often generate among the most efficient and fastest run-time executables, particularly on high-end scalar and vector supercomputers. Computing architectures and paradigms have changed considerably since the last ANSI/ISO Fortran release in 1978, and while FORTRAN 77 has more than survived, it's aged features provide only partial functionality for today's demanding computing environments. The simple block procedural languages have been necessarily evolving, or giving way, to specialized supercomputing, network resource, and object-oriented paradigms. To address these new computing demands, ANSI has worked for the last 12-years with three international public reviews to deliver Fortran 90. Fortran 90 has superseded and replaced ISO FORTRAN 77 internationally as the sole Fortran standard; while in the US, Fortran 90 is expected to be adopted as the ANSI standard this summer, coexisting with ANSI FORTRAN 77 until at least 1996. The development path and current state of Fortran will be briefly described highlighting the many new Fortran 90 syntactic and semantic additions which support (among others): free form source; array syntax; new control structures; modules and interfaces; pointers; derived data types; dynamic memory; enhanced I/O; operator overloading; data abstraction; user optional arguments; new intrinsics for array, bit manipulation, and system inquiry; and enhanced portability through better generic control of underlying system arithmetic models. Examples from dynamical astronomy, signal and image processing will attempt to illustrate Fortran 90's applicability to today's general scalar, vector, and parallel scientific and engineering requirements and object oriented programming paradigms. Time permitting, current work proceeding on the future development of Fortran 2000 and collateral standards will be introduced.

Comparison of seating, powered characteristics and functions and costs of electrically powered wheelchairs in a general population of users.

PubMed

Dolan, Michael John; Bolton, Megan Jennifer; Henderson, Graham Iain

2017-10-26

To profile and compare the seating and powered characteristics and functions of electrically powered wheelchairs (EPWs) in a general user population including equipment costs. Case notes of adult EPW users of a regional NHS service were reviewed retrospectively. Seating equipment complexity and type were categorized using the Edinburgh classification. Powered characteristics and functions, including control device type, were recorded. 482 cases were included; 53.9% female; mean duration EPW use 8.1 years (SD 7.4); rear wheel drive 88.0%; hand joystick 94.8%. Seating complexity: low 73.2%, medium 18.0%, high 8.7%. Most prevalent diagnoses: multiple sclerosis (MS) 25.3%, cerebral palsy (CP) 18.7%, muscular dystrophy (8.5%). Compared to CP users, MS users were significantly older at first use, less experienced, more likely to have mid-wheel drive and less complex seating. Additional costs for muscular dystrophy and spinal cord injury users were 3-4 times stroke users. This is the first large study of a general EPW user population using a seating classification. Significant differences were found between diagnostic groups; nevertheless, there was also high diversity within each group. The differences in provision and the equipment costs across diagnostic groups can be used to improve service planning. Implications for Rehabilitation At a service planning level, knowledge of a population's diagnostic group and age distribution can be used to inform decisions about the number of required EPWs and equipment costs. At a user level, purchasing decisions about powered characteristics and functions of EPWs and specialised seating equipment need to be taken on a case by case basis because of the diversity of users' needs within diagnostic groups. The additional equipment costs for SCI and MD users are several times those of stroke users and add between 60 and 70% of the cost of basic provision.

Computational mechanics analysis tools for parallel-vector supercomputers

NASA Technical Reports Server (NTRS)

Storaasli, O. O.; Nguyen, D. T.; Baddourah, M. A.; Qin, J.

1993-01-01

Computational algorithms for structural analysis on parallel-vector supercomputers are reviewed. These parallel algorithms, developed by the authors, are for the assembly of structural equations, 'out-of-core' strategies for linear equation solution, massively distributed-memory equation solution, unsymmetric equation solution, general eigen-solution, geometrically nonlinear finite element analysis, design sensitivity analysis for structural dynamics, optimization algorithm and domain decomposition. The source code for many of these algorithms is available from NASA Langley.

NASA's Pleiades Supercomputer Crunches Data For Groundbreaking Analysis and Visualizations

NASA Image and Video Library

2016-11-23

The Pleiades supercomputer at NASA's Ames Research Center, recently named the 13th fastest computer in the world, provides scientists and researchers high-fidelity numerical modeling of complex systems and processes. By using detailed analyses and visualizations of large-scale data, Pleiades is helping to advance human knowledge and technology, from designing the next generation of aircraft and spacecraft to understanding the Earth's climate and the mysteries of our galaxy.

A Layered Solution for Supercomputing Storage

ScienceCinema

Grider, Gary

2018-06-13

To solve the supercomputing challenge of memory keeping up with processing speed, a team at Los Alamos National Laboratory developed two innovative memory management and storage technologies. Burst buffers peel off data onto flash memory to support the checkpoint/restart paradigm of large simulations. MarFS adds a thin software layer enabling a new tier for campaign storage—based on inexpensive, failure-prone disk drives—between disk drives and tape archives.

A Long History of Supercomputing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grider, Gary

As part of its national security science mission, Los Alamos National Laboratory and HPC have a long, entwined history dating back to the earliest days of computing. From bringing the first problem to the nation’s first computer to building the first machine to break the petaflop barrier, Los Alamos holds many “firsts” in HPC breakthroughs. Today, supercomputers are integral to stockpile stewardship and the Laboratory continues to work with vendors in developing the future of HPC.

Introducing Argonne’s Theta Supercomputer

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

Theta, the Argonne Leadership Computing Facility’s (ALCF) new Intel-Cray supercomputer, is officially open to the research community. Theta’s massively parallel, many-core architecture puts the ALCF on the path to Aurora, the facility’s future Intel-Cray system. Capable of nearly 10 quadrillion calculations per second, Theta enables researchers to break new ground in scientific investigations that range from modeling the inner workings of the brain to developing new materials for renewable energy applications.

ParaBTM: A Parallel Processing Framework for Biomedical Text Mining on Supercomputers.

PubMed

Xing, Yuting; Wu, Chengkun; Yang, Xi; Wang, Wei; Zhu, En; Yin, Jianping

2018-04-27

A prevailing way of extracting valuable information from biomedical literature is to apply text mining methods on unstructured texts. However, the massive amount of literature that needs to be analyzed poses a big data challenge to the processing efficiency of text mining. In this paper, we address this challenge by introducing parallel processing on a supercomputer. We developed paraBTM, a runnable framework that enables parallel text mining on the Tianhe-2 supercomputer. It employs a low-cost yet effective load balancing strategy to maximize the efficiency of parallel processing. We evaluated the performance of paraBTM on several datasets, utilizing three types of named entity recognition tasks as demonstration. Results show that, in most cases, the processing efficiency can be greatly improved with parallel processing, and the proposed load balancing strategy is simple and effective. In addition, our framework can be readily applied to other tasks of biomedical text mining besides NER.

Graphics supercomputer for computational fluid dynamics research

NASA Astrophysics Data System (ADS)

Liaw, Goang S.

1994-11-01

The objective of this project is to purchase a state-of-the-art graphics supercomputer to improve the Computational Fluid Dynamics (CFD) research capability at Alabama A & M University (AAMU) and to support the Air Force research projects. A cutting-edge graphics supercomputer system, Onyx VTX, from Silicon Graphics Computer Systems (SGI), was purchased and installed. Other equipment including a desktop personal computer, PC-486 DX2 with a built-in 10-BaseT Ethernet card, a 10-BaseT hub, an Apple Laser Printer Select 360, and a notebook computer from Zenith were also purchased. A reading room has been converted to a research computer lab by adding some furniture and an air conditioning unit in order to provide an appropriate working environments for researchers and the purchase equipment. All the purchased equipment were successfully installed and are fully functional. Several research projects, including two existing Air Force projects, are being performed using these facilities.

Modelling sodium cobaltate by mapping onto magnetic Ising model

NASA Astrophysics Data System (ADS)

Gemperline, Patrick; Morris, David Jonathan Pryce

Fast Ion conductors are a class of crystals that are frequently used as battery materials, especially in smart phones, laptops, and other portable devices. Sodium Cobalt Oxide, NaxCoO2, falls into this class of crystals, but is unique because it possesses the ability to act as a thermoelectric material and a superconductor at different concentrations of Na+. The crystal lattice is mapped onto an Ising Magnetic Spin model and a Monte-Carol Simulation is used to find the most energetically favorable configuration of spins. This spin configuration is mapped back to the crystal lattice resulting in the most stable crystal structure of Sodium Cobalt Oxide at various concentrations. Knowing the atomic structures of the crystals will aid in the research of the materials capabilities and the possible uses of the material commercially. Ohio Supercomputer Center. 1987. Ohio Supercomputer Center. Columbus OH: Ohio Supercomputer Center. and the John Hauck Foundation.

Hardware and software status of QCDOC

NASA Astrophysics Data System (ADS)

Boyle, P. A.; Chen, D.; Christ, N. H.; Clark, M.; Cohen, S. D.; Cristian, C.; Dong, Z.; Gara, A.; Joó, B.; Jung, C.; Kim, C.; Levkova, L.; Liao, X.; Liu, G.; Mawhinney, R. D.; Ohta, S.; Petrov, K.; Wettig, T.; Yamaguchi, A.

2004-03-01

QCDOC is a massively parallel supercomputer whose processing nodes are based on an application-specific integrated circuit (ASIC). This ASIC was custom-designed so that crucial lattice QCD kernels achieve an overall sustained performance of 50% on machines with several 10,000 nodes. This strong scalability, together with low power consumption and a price/performance ratio of $1 per sustained MFlops, enable QCDOC to attack the most demanding lattice QCD problems. The first ASICs became available in June of 2003, and the testing performed so far has shown all systems functioning according to specification. We review the hardware and software status of QCDOC and present performance figures obtained in real hardware as well as in simulation.

The High Time Resolution Universe

NASA Astrophysics Data System (ADS)

Bailes, Matthew; Possenti, Andrea; Johnston, Simon; Kramer, Michael; Burgay, Marta; Bhat, Ramesh; Keith, Michael; Burke-Spolaor, Sarah; van Straten, Willem; Stappers, Benjamin; Bates, Samuel

2008-04-01

The Parkes multibeam surveys heralded a new era in pulsar surveys, more than doubling the number of pulsars known. However, at high time resolution, they were severely limited by the analogue backend system, which limited the volume of sky they could effectively survey to just the local 2-3 kpc. Here we propose to use a new digital backend coupled with Australia's most powerful (16 Tflop) supercomputing cluster to conduct three ambitious surveys for millisecond and relativistic pulsars with the Parkes telescope. We hope to discover over 200 new millisecond and relativistic pulsars that will define the recycled pulsar period distribution, supply pulsars for the timing array and aid in our understanding of binary evolution.

ORNL Cray X1 evaluation status report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Agarwal, P.K.; Alexander, R.A.; Apra, E.

2004-05-01

On August 15, 2002 the Department of Energy (DOE) selected the Center for Computational Sciences (CCS) at Oak Ridge National Laboratory (ORNL) to deploy a new scalable vector supercomputer architecture for solving important scientific problems in climate, fusion, biology, nanoscale materials and astrophysics. ''This program is one of the first steps in an initiative designed to provide U.S. scientists with the computational power that is essential to 21st century scientific leadership,'' said Dr. Raymond L. Orbach, director of the department's Office of Science. In FY03, CCS procured a 256-processor Cray X1 to evaluate the processors, memory subsystem, scalability of themore » architecture, software environment and to predict the expected sustained performance on key DOE applications codes. The results of the micro-benchmarks and kernel bench marks show the architecture of the Cray X1 to be exceptionally fast for most operations. The best results are shown on large problems, where it is not possible to fit the entire problem into the cache of the processors. These large problems are exactly the types of problems that are important for the DOE and ultra-scale simulation. Application performance is found to be markedly improved by this architecture: - Large-scale simulations of high-temperature superconductors run 25 times faster than on an IBM Power4 cluster using the same number of processors. - Best performance of the parallel ocean program (POP v1.4.3) is 50 percent higher than on Japan s Earth Simulator and 5 times higher than on an IBM Power4 cluster. - A fusion application, global GYRO transport, was found to be 16 times faster on the X1 than on an IBM Power3. The increased performance allowed simulations to fully resolve questions raised by a prior study. - The transport kernel in the AGILE-BOLTZTRAN astrophysics code runs 15 times faster than on an IBM Power4 cluster using the same number of processors. - Molecular dynamics simulations related to the phenomenon of photon echo run 8 times faster than previously achieved. Even at 256 processors, the Cray X1 system is already outperforming other supercomputers with thousands of processors for a certain class of applications such as climate modeling and some fusion applications. This evaluation is the outcome of a number of meetings with both high-performance computing (HPC) system vendors and application experts over the past 9 months and has received broad-based support from the scientific community and other agencies.« less

Bringing Superconductor Digital Technology to the Market Place

NASA Astrophysics Data System (ADS)

Nisenoff, Martin

The unique properties of superconductivity can be exploited to provide the ultimate in electronic technology for systems such as ultra-precise analogue-to-digital and digital-to-analogue converters, precise DC and AC voltage standards, ultra high speed logic circuits and systems (both digital and hybrid analogue-digital systems), and very high throughput network routers and supercomputers which would have superior electrical performance at lower overall electrical power consumption compared to systems with comparable performance which are fabricated using conventional room temperature technologies. This potential for high performance electronics with reduced power consumption would have a positive impact on slowing the increase in the demand for electrical utility power by the information technology community on the overall electrical power grid. However, before this technology can be successfully brought to the commercial market place, there must be an aggressive investment of resources and funding to develop the required infrastructure needed to yield these high performance superconductor systems, which will be reliable and available at low cost. The author proposes that it will require a concerted effort by the superconductor and cryogenic communities to bring this technology to the commercial market place or make it available for widespread use in scientific instrumentation.

High-performance finite-difference time-domain simulations of C-Mod and ITER RF antennas

NASA Astrophysics Data System (ADS)

Jenkins, Thomas G.; Smithe, David N.

2015-12-01

Finite-difference time-domain methods have, in recent years, developed powerful capabilities for modeling realistic ICRF behavior in fusion plasmas [1, 2, 3, 4]. When coupled with the power of modern high-performance computing platforms, such techniques allow the behavior of antenna near and far fields, and the flow of RF power, to be studied in realistic experimental scenarios at previously inaccessible levels of resolution. In this talk, we present results and 3D animations from high-performance FDTD simulations on the Titan Cray XK7 supercomputer, modeling both Alcator C-Mod's field-aligned ICRF antenna and the ITER antenna module. Much of this work focuses on scans over edge density, and tailored edge density profiles, to study dispersion and the physics of slow wave excitation in the immediate vicinity of the antenna hardware and SOL. An understanding of the role of the lower-hybrid resonance in low-density scenarios is emerging, and possible implications of this for the NSTX launcher and power balance are also discussed. In addition, we discuss ongoing work centered on using these simulations to estimate sputtering and impurity production, as driven by the self-consistent sheath potentials at antenna surfaces.

High-performance finite-difference time-domain simulations of C-Mod and ITER RF antennas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jenkins, Thomas G., E-mail: tgjenkins@txcorp.com; Smithe, David N., E-mail: smithe@txcorp.com

Finite-difference time-domain methods have, in recent years, developed powerful capabilities for modeling realistic ICRF behavior in fusion plasmas [1, 2, 3, 4]. When coupled with the power of modern high-performance computing platforms, such techniques allow the behavior of antenna near and far fields, and the flow of RF power, to be studied in realistic experimental scenarios at previously inaccessible levels of resolution. In this talk, we present results and 3D animations from high-performance FDTD simulations on the Titan Cray XK7 supercomputer, modeling both Alcator C-Mod’s field-aligned ICRF antenna and the ITER antenna module. Much of this work focuses on scansmore » over edge density, and tailored edge density profiles, to study dispersion and the physics of slow wave excitation in the immediate vicinity of the antenna hardware and SOL. An understanding of the role of the lower-hybrid resonance in low-density scenarios is emerging, and possible implications of this for the NSTX launcher and power balance are also discussed. In addition, we discuss ongoing work centered on using these simulations to estimate sputtering and impurity production, as driven by the self-consistent sheath potentials at antenna surfaces.« less

A hybrid computational strategy to address WGS variant analysis in >5000 samples.

PubMed

Huang, Zhuoyi; Rustagi, Navin; Veeraraghavan, Narayanan; Carroll, Andrew; Gibbs, Richard; Boerwinkle, Eric; Venkata, Manjunath Gorentla; Yu, Fuli

2016-09-10

The decreasing costs of sequencing are driving the need for cost effective and real time variant calling of whole genome sequencing data. The scale of these projects are far beyond the capacity of typical computing resources available with most research labs. Other infrastructures like the cloud AWS environment and supercomputers also have limitations due to which large scale joint variant calling becomes infeasible, and infrastructure specific variant calling strategies either fail to scale up to large datasets or abandon joint calling strategies. We present a high throughput framework including multiple variant callers for single nucleotide variant (SNV) calling, which leverages hybrid computing infrastructure consisting of cloud AWS, supercomputers and local high performance computing infrastructures. We present a novel binning approach for large scale joint variant calling and imputation which can scale up to over 10,000 samples while producing SNV callsets with high sensitivity and specificity. As a proof of principle, we present results of analysis on Cohorts for Heart And Aging Research in Genomic Epidemiology (CHARGE) WGS freeze 3 dataset in which joint calling, imputation and phasing of over 5300 whole genome samples was produced in under 6 weeks using four state-of-the-art callers. The callers used were SNPTools, GATK-HaplotypeCaller, GATK-UnifiedGenotyper and GotCloud. We used Amazon AWS, a 4000-core in-house cluster at Baylor College of Medicine, IBM power PC Blue BioU at Rice and Rhea at Oak Ridge National Laboratory (ORNL) for the computation. AWS was used for joint calling of 180 TB of BAM files, and ORNL and Rice supercomputers were used for the imputation and phasing step. All other steps were carried out on the local compute cluster. The entire operation used 5.2 million core hours and only transferred a total of 6 TB of data across the platforms. Even with increasing sizes of whole genome datasets, ensemble joint calling of SNVs for low coverage data can be accomplished in a scalable, cost effective and fast manner by using heterogeneous computing platforms without compromising on the quality of variants.

Performance Refactoring of Instrumentation, Measurement, and Analysis Technologies for Petascale Computing. The PRIMA Project

DOE Office of Scientific and Technical Information (OSTI.GOV)

Malony, Allen D.; Wolf, Felix G.

2014-01-31

The growing number of cores provided by today’s high-­end computing systems present substantial challenges to application developers in their pursuit of parallel efficiency. To find the most effective optimization strategy, application developers need insight into the runtime behavior of their code. The University of Oregon (UO) and the Juelich Supercomputing Centre of Forschungszentrum Juelich (FZJ) develop the performance analysis tools TAU and Scalasca, respectively, which allow high-­performance computing (HPC) users to collect and analyze relevant performance data – even at very large scales. TAU and Scalasca are considered among the most advanced parallel performance systems available, and are used extensivelymore » across HPC centers in the U.S., Germany, and around the world. The TAU and Scalasca groups share a heritage of parallel performance tool research and partnership throughout the past fifteen years. Indeed, the close interactions of the two groups resulted in a cross-­fertilization of tool ideas and technologies that pushed TAU and Scalasca to what they are today. It also produced two performance systems with an increasing degree of functional overlap. While each tool has its specific analysis focus, the tools were implementing measurement infrastructures that were substantially similar. Because each tool provides complementary performance analysis, sharing of measurement results is valuable to provide the user with more facets to understand performance behavior. However, each measurement system was producing performance data in different formats, requiring data interoperability tools to be created. A common measurement and instrumentation system was needed to more closely integrate TAU and Scalasca and to avoid the duplication of development and maintenance effort. The PRIMA (Performance Refactoring of Instrumentation, Measurement, and Analysis) project was proposed over three years ago as a joint international effort between UO and FZJ to accomplish these objectives: (1) refactor TAU and Scalasca performance system components for core code sharing and (2) integrate TAU and Scalasca functionality through data interfaces, formats, and utilities. As presented in this report, the project has completed these goals. In addition to shared technical advances, the groups have worked to engage with users through application performance engineering and tools training. In this regard, the project benefits from the close interactions the teams have with national laboratories in the United States and Germany. We have also sought to enhance our interactions through joint tutorials and outreach. UO has become a member of the Virtual Institute of High-­Productivity Supercomputing (VI-­HPS) established by the Helmholtz Association of German Research Centres as a center of excellence, focusing on HPC tools for diagnosing programming errors and optimizing performance. UO and FZJ have conducted several VI-­HPS training activities together within the past three years.« less

A Portable Regional Weather and Climate Downscaling System Using GEOS-5, LIS-6, WRF, and the NASA Workflow Tool

NASA Astrophysics Data System (ADS)

Kemp, E. M.; Putman, W. M.; Gurganus, J.; Burns, R. W.; Damon, M. R.; McConaughy, G. R.; Seablom, M. S.; Wojcik, G. S.

2009-12-01

We present a regional downscaling system (RDS) suitable for high-resolution weather and climate simulations in multiple supercomputing environments. The RDS is built on the NASA Workflow Tool, a software framework for configuring, running, and managing computer models on multiple platforms with a graphical user interface. The Workflow Tool is used to run the NASA Goddard Earth Observing System Model Version 5 (GEOS-5), a global atmospheric-ocean model for weather and climate simulations down to 1/4 degree resolution; the NASA Land Information System Version 6 (LIS-6), a land surface modeling system that can simulate soil temperature and moisture profiles; and the Weather Research and Forecasting (WRF) community model, a limited-area atmospheric model for weather and climate simulations down to 1-km resolution. The Workflow Tool allows users to customize model settings to user needs; saves and organizes simulation experiments; distributes model runs across different computer clusters (e.g., the DISCOVER cluster at Goddard Space Flight Center, the Cray CX-1 Desktop Supercomputer, etc.); and handles all file transfers and network communications (e.g., scp connections). Together, the RDS is intended to aid researchers by making simulations as easy as possible to generate on the computer resources available. Initial conditions for LIS-6 and GEOS-5 are provided by Modern Era Retrospective-Analysis for Research and Applications (MERRA) reanalysis data stored on DISCOVER. The LIS-6 is first run for 2-4 years forced by MERRA atmospheric analyses, generating initial conditions for the WRF soil physics. GEOS-5 is then initialized from MERRA data and run for the period of interest. Large-scale atmospheric data, sea-surface temperatures, and sea ice coverage from GEOS-5 are used as boundary conditions for WRF, which is run for the same period of interest. Multiply nested grids are used for both LIS-6 and WRF, with the innermost grid run at a resolution sufficient for typical local weather features (terrain, convection, etc.) All model runs, restarts, and file transfers are coordinated by the Workflow Tool. Two use cases are being pursued. First, the RDS generates regional climate simulations down to 4-km for the Chesapeake Bay region, with WRF output provided as input to more specialized models (e.g., ocean/lake, hydrological, marine biology, and air pollution). This will allow assessment of climate impact on local interests (e.g., changes in Bay water levels and temperatures, innundation, fish kills, etc.) Second, the RDS generates high-resolution hurricane simulations in the tropical North Atlantic. This use case will support Observing System Simulation Experiments (OSSEs) of dynamically-targeted lidar observations as part of the NASA Sensor Web Simulator project. Sample results will be presented at the AGU Fall Meeting.

Performance Refactoring of Instrumentation, Measurement, and Analysis Technologies for Petascale Computing: the PRIMA Project

DOE Office of Scientific and Technical Information (OSTI.GOV)

Malony, Allen D.; Wolf, Felix G.

2014-01-31

The growing number of cores provided by today’s high-end computing systems present substantial challenges to application developers in their pursuit of parallel efficiency. To find the most effective optimization strategy, application developers need insight into the runtime behavior of their code. The University of Oregon (UO) and the Juelich Supercomputing Centre of Forschungszentrum Juelich (FZJ) develop the performance analysis tools TAU and Scalasca, respectively, which allow high-performance computing (HPC) users to collect and analyze relevant performance data – even at very large scales. TAU and Scalasca are considered among the most advanced parallel performance systems available, and are used extensivelymore » across HPC centers in the U.S., Germany, and around the world. The TAU and Scalasca groups share a heritage of parallel performance tool research and partnership throughout the past fifteen years. Indeed, the close interactions of the two groups resulted in a cross-fertilization of tool ideas and technologies that pushed TAU and Scalasca to what they are today. It also produced two performance systems with an increasing degree of functional overlap. While each tool has its specific analysis focus, the tools were implementing measurement infrastructures that were substantially similar. Because each tool provides complementary performance analysis, sharing of measurement results is valuable to provide the user with more facets to understand performance behavior. However, each measurement system was producing performance data in different formats, requiring data interoperability tools to be created. A common measurement and instrumentation system was needed to more closely integrate TAU and Scalasca and to avoid the duplication of development and maintenance effort. The PRIMA (Performance Refactoring of Instrumentation, Measurement, and Analysis) project was proposed over three years ago as a joint international effort between UO and FZJ to accomplish these objectives: (1) refactor TAU and Scalasca performance system components for core code sharing and (2) integrate TAU and Scalasca functionality through data interfaces, formats, and utilities. As presented in this report, the project has completed these goals. In addition to shared technical advances, the groups have worked to engage with users through application performance engineering and tools training. In this regard, the project benefits from the close interactions the teams have with national laboratories in the United States and Germany. We have also sought to enhance our interactions through joint tutorials and outreach. UO has become a member of the Virtual Institute of High-Productivity Supercomputing (VI-HPS) established by the Helmholtz Association of German Research Centres as a center of excellence, focusing on HPC tools for diagnosing programming errors and optimizing performance. UO and FZJ have conducted several VI-HPS training activities together within the past three years.« less

US Department of Energy High School Student Supercomputing Honors Program: A follow-up assessment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1987-01-01

The US DOE High School Student Supercomputing Honors Program was designed to recognize high school students with superior skills in mathematics and computer science and to provide them with formal training and experience with advanced computer equipment. This document reports on the participants who attended the first such program, which was held at the National Magnetic Fusion Energy Computer Center at the Lawrence Livermore National Laboratory (LLNL) during August 1985.

Green Supercomputing at Argonne

ScienceCinema

Beckman, Pete

2018-02-07

Pete Beckman, head of Argonne's Leadership Computing Facility (ALCF) talks about Argonne National Laboratory's green supercomputing—everything from designing algorithms to use fewer kilowatts per operation to using cold Chicago winter air to cool the machine more efficiently. Argonne was recognized for green computing in the 2009 HPCwire Readers Choice Awards. More at http://www.anl.gov/Media_Center/News/2009/news091117.html Read more about the Argonne Leadership Computing Facility at http://www.alcf.anl.gov/

A performance comparison of scalar, vector, and concurrent vector computers including supercomputers for modeling transport of reactive contaminants in groundwater

NASA Astrophysics Data System (ADS)

Tripathi, Vijay S.; Yeh, G. T.

1993-06-01

Sophisticated and highly computation-intensive models of transport of reactive contaminants in groundwater have been developed in recent years. Application of such models to real-world contaminant transport problems, e.g., simulation of groundwater transport of 10-15 chemically reactive elements (e.g., toxic metals) and relevant complexes and minerals in two and three dimensions over a distance of several hundred meters, requires high-performance computers including supercomputers. Although not widely recognized as such, the computational complexity and demand of these models compare with well-known computation-intensive applications including weather forecasting and quantum chemical calculations. A survey of the performance of a variety of available hardware, as measured by the run times for a reactive transport model HYDROGEOCHEM, showed that while supercomputers provide the fastest execution times for such problems, relatively low-cost reduced instruction set computer (RISC) based scalar computers provide the best performance-to-price ratio. Because supercomputers like the Cray X-MP are inherently multiuser resources, often the RISC computers also provide much better turnaround times. Furthermore, RISC-based workstations provide the best platforms for "visualization" of groundwater flow and contaminant plumes. The most notable result, however, is that current workstations costing less than $10,000 provide performance within a factor of 5 of a Cray X-MP.

Assessing electronic cigarette effects and regulatory impact: Challenges with user self-reported device power.

PubMed

Rudy, Alyssa K; Leventhal, Adam M; Goldenson, Nicholas I; Eissenberg, Thomas

2017-10-01

Electronic cigarettes (ECIGs) aerosolize liquids for user inhalation that usually contain nicotine. ECIG nicotine emission is determined, in part, by user behavior, liquid nicotine concentration, and electrical power. Whether users are able to report accurately nicotine concentration and device electrical power has not been evaluated. This study's purpose was to examine if ECIG users could provide data relevant to understanding ECIG nicotine emission, particularly liquid nicotine concentration (mg/ml) as well as battery voltage (V) and heater resistance (ohms, Ω) - needed to calculate power (watts, W). Adult ECIG users (N=165) were recruited from Los Angeles, CA for research studies examining the effects of ECIG use. We asked all participants who visited the laboratory to report liquid nicotine concentration, V, and Ω. Liquid nicotine concentration was reported by 89.7% (mean=9.5mg/ml, SD=7.3), and responses were consistent with the distribution of liquids available in commonly marketed products. The majority could not report voltage (51.5%) or resistance (63.6%). Of the 40 participants (24.8%) who reported voltage and resistance, there was a substantial power range (2.2-32,670W) the upper limit of which exceeds that of the highest ECIG reported by any user to our knowledge (i.e., 2512W). If 2512W is taken as the upper limit, only 30 (18.2%) reported valid results (mean 237.3W, SD=370.6; range=2.2-1705.3W). Laboratory, survey, and other researchers interested in understanding ECIG effects to inform users and policymakers may need to use methods other than user self-report to obtain information regarding device power. Copyright © 2017 Elsevier B.V. All rights reserved.

Usability research study of a specially engineered sonic powered toothbrush with unique sensing and control technologies.

PubMed

Hunter, Gail; Burns, Laurie; Bone, Brian; Mintel, Thomas; Jimenez, Eduardo

2012-01-01

This paper summarizes the results of a longitudinal usability research study of a specially engineered sonic powered toothbrush with unique sensing and control technologies. The usability test was conducted with fourteen (14) consumers from the St. Louis, MO, USA area who use manual toothbrushes. The study consisted of consumers using the specially engineered sonic powered toothbrush with unique sensing and control technologies for three weeks. During the study, users participated in four toothbrush trials during weekly visits to the research facility. These trials were videotaped and were analyzed regarding brushing time, behavior, and technique. In addition, the users were required to use the toothbrush twice a day for their at-home brushing. The toothbrush had a positive impact on consumers' tooth brushing behavior. Users spent more time brushing their teeth with this toothbrush as compared to their manual toothbrush. In addition, users spent more time keeping the sonic toothbrush in the recommended angle during use. Finally, users perceived their teeth to be cleaner when using the specially engineered sonic powered toothbrush with unique sensing and control technologies. The specially engineered sonic powered toothbrush with unique sensing and control technologies left a positive impression on the users. The users perceived the toothbrush to clean their teeth better than a manual toothbrush.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Marathe, Aniruddha P.; Harris, Rachel A.; Lowenthal, David K.

The use of clouds to execute high-performance computing (HPC) applications has greatly increased recently. Clouds provide several potential advantages over traditional supercomputers and in-house clusters. The most popular cloud is currently Amazon EC2, which provides fixed-cost and variable-cost, auction-based options. The auction market trades lower cost for potential interruptions that necessitate checkpointing; if the market price exceeds the bid price, a node is taken away from the user without warning. We explore techniques to maximize performance per dollar given a time constraint within which an application must complete. Specifically, we design and implement multiple techniques to reduce expected cost bymore » exploiting redundancy in the EC2 auction market. We then design an adaptive algorithm that selects a scheduling algorithm and determines the bid price. We show that our adaptive algorithm executes programs up to seven times cheaper than using the on-demand market and up to 44 percent cheaper than the best non-redundant, auction-market algorithm. We extend our adaptive algorithm to incorporate application scalability characteristics for further cost savings. In conclusion, we show that the adaptive algorithm informed with scalability characteristics of applications achieves up to 56 percent cost savings compared to the expected cost for the base adaptive algorithm run at a fixed, user-defined scale.« less

GPU.proton.DOCK: Genuine Protein Ultrafast proton equilibria consistent DOCKing.

PubMed

Kantardjiev, Alexander A

2011-07-01

GPU.proton.DOCK (Genuine Protein Ultrafast proton equilibria consistent DOCKing) is a state of the art service for in silico prediction of protein-protein interactions via rigorous and ultrafast docking code. It is unique in providing stringent account of electrostatic interactions self-consistency and proton equilibria mutual effects of docking partners. GPU.proton.DOCK is the first server offering such a crucial supplement to protein docking algorithms--a step toward more reliable and high accuracy docking results. The code (especially the Fast Fourier Transform bottleneck and electrostatic fields computation) is parallelized to run on a GPU supercomputer. The high performance will be of use for large-scale structural bioinformatics and systems biology projects, thus bridging physics of the interactions with analysis of molecular networks. We propose workflows for exploring in silico charge mutagenesis effects. Special emphasis is given to the interface-intuitive and user-friendly. The input is comprised of the atomic coordinate files in PDB format. The advanced user is provided with a special input section for addition of non-polypeptide charges, extra ionogenic groups with intrinsic pK(a) values or fixed ions. The output is comprised of docked complexes in PDB format as well as interactive visualization in a molecular viewer. GPU.proton.DOCK server can be accessed at http://gpudock.orgchm.bas.bg/.

QwikMD — Integrative Molecular Dynamics Toolkit for Novices and Experts

PubMed Central

Ribeiro, João V.; Bernardi, Rafael C.; Rudack, Till; Stone, John E.; Phillips, James C.; Freddolino, Peter L.; Schulten, Klaus

2016-01-01

The proper functioning of biomolecules in living cells requires them to assume particular structures and to undergo conformational changes. Both biomolecular structure and motion can be studied using a wide variety of techniques, but none offers the level of detail as do molecular dynamics (MD) simulations. Integrating two widely used modeling programs, namely NAMD and VMD, we have created a robust, user-friendly software, QwikMD, which enables novices and experts alike to address biomedically relevant questions, where often only molecular dynamics simulations can provide answers. Performing both simple and advanced MD simulations interactively, QwikMD automates as many steps as necessary for preparing, carrying out, and analyzing simulations while checking for common errors and enabling reproducibility. QwikMD meets also the needs of experts in the field, increasing the efficiency and quality of their work by carrying out tedious or repetitive tasks while enabling easy control of every step. Whether carrying out simulations within the live view mode on a small laptop or performing complex and large simulations on supercomputers or Cloud computers, QwikMD uses the same steps and user interface. QwikMD is freely available by download on group and personal computers. It is also available on the cloud at Amazon Web Services. PMID:27216779

Data Management as a Cluster Middleware Centerpiece

NASA Technical Reports Server (NTRS)

Zero, Jose; McNab, David; Sawyer, William; Cheung, Samson; Duffy, Daniel; Rood, Richard; Webster, Phil; Palm, Nancy; Salmon, Ellen; Schardt, Tom

2004-01-01

Through earth and space modeling and the ongoing launches of satellites to gather data, NASA has become one of the largest producers of data in the world. These large data sets necessitated the creation of a Data Management System (DMS) to assist both the users and the administrators of the data. Halcyon Systems Inc. was contracted by the NASA Center for Computational Sciences (NCCS) to produce a Data Management System. The prototype of the DMS was produced by Halcyon Systems Inc. (Halcyon) for the Global Modeling and Assimilation Office (GMAO). The system, which was implemented and deployed within a relatively short period of time, has proven to be highly reliable and deployable. Following the prototype deployment, Halcyon was contacted by the NCCS to produce a production DMS version for their user community. The system is composed of several existing open source or government-sponsored components such as the San Diego Supercomputer Center s (SDSC) Storage Resource Broker (SRB), the Distributed Oceanographic Data System (DODS), and other components. Since Data Management is one of the foremost problems in cluster computing, the final package not only extends its capabilities as a Data Management System, but also to a cluster management system. This Cluster/Data Management System (CDMS) can be envisioned as the integration of existing packages.

QwikMD — Integrative Molecular Dynamics Toolkit for Novices and Experts

NASA Astrophysics Data System (ADS)

Ribeiro, João V.; Bernardi, Rafael C.; Rudack, Till; Stone, John E.; Phillips, James C.; Freddolino, Peter L.; Schulten, Klaus

2016-05-01

The proper functioning of biomolecules in living cells requires them to assume particular structures and to undergo conformational changes. Both biomolecular structure and motion can be studied using a wide variety of techniques, but none offers the level of detail as do molecular dynamics (MD) simulations. Integrating two widely used modeling programs, namely NAMD and VMD, we have created a robust, user-friendly software, QwikMD, which enables novices and experts alike to address biomedically relevant questions, where often only molecular dynamics simulations can provide answers. Performing both simple and advanced MD simulations interactively, QwikMD automates as many steps as necessary for preparing, carrying out, and analyzing simulations while checking for common errors and enabling reproducibility. QwikMD meets also the needs of experts in the field, increasing the efficiency and quality of their work by carrying out tedious or repetitive tasks while enabling easy control of every step. Whether carrying out simulations within the live view mode on a small laptop or performing complex and large simulations on supercomputers or Cloud computers, QwikMD uses the same steps and user interface. QwikMD is freely available by download on group and personal computers. It is also available on the cloud at Amazon Web Services.

Virtual Reality Visualization of Permafrost Dynamics Along a Transect Through Northern Alaska

NASA Astrophysics Data System (ADS)

Chappell, G. G.; Brody, B.; Webb, P.; Chord, J.; Romanovsky, V.; Tipenko, G.

2004-12-01

Understanding permafrost dynamics poses a significant challenge for researchers and planners. Our project uses nontraditional visualization tools to create a 3-D interactive virtual-reality environment in which permafrost dynamics can be explored and experimented with. We have incorporated a numerical soil temperature model by Gennadiy Tipenko and Vladimir Romanovsky of the Geophysical institute at the University of Alaska Fairbanks into an animated tour in space and time in the virtual reality facility of the Arctic Region Supercomputing Center at the University of Alaska Fairbanks. The software is being written by undergraduate interns Patrick Webb and Jordanna Chord under the direction of Professors Chappell and Brody. When using our software, the user appears to be surrounded by a 3-D computer-generated model of the state of Alaska. The eastern portion of the state is displaced upward from the western portion. The data are represented on an animated vertical strip running between the two parts, as if eastern Alaska were raised up, and the soil at the cut could be viewed. We use coloring to highlight significant properties and features of the soil: temperature, the active layer, etc. The user can view data from various parts of the state simply by walking to the appropriate location in the model, or by using a flying-style interface to cover longer distances. Using a control panel, the user can also alter the time, viewing the data for a particular date, or watching the data change with time: a high-speed movie in which long-term changes in permafrost are readily apparent. In the second phase of the project, we connect the visualization directly to the model, running in real time. We allow the user to manipulate the input data and get immediate visual feedback. For example, the user might specify the kind and placement of ground cover, by ``painting'' snowpack, plant species, or fire damage, and be able to see the effect on permafrost stability with no significant time lag.

Enabling Discoveries in Earth Sciences Through the Geosciences Network (GEON)

NASA Astrophysics Data System (ADS)

Seber, D.; Baru, C.; Memon, A.; Lin, K.; Youn, C.

2005-12-01

Taking advantage of the state-of-the-art information technology resources GEON researchers are building a cyberinfrastructure designed to enable data sharing, semantic data integration, high-end computations and 4D visualization in easy-to-use web-based environments. The GEON Network currently allows users to search and register Earth science resources such as data sets (GIS layers, GMT files, geoTIFF images, ASCII files, relational databases etc), software applications or ontologies. Portal based access mechanisms enable developers to built dynamic user interfaces to conduct advanced processing and modeling efforts across distributed computers and supercomputers. Researchers and educators can access the networked resources through the GEON portal and its portlets that were developed to conduct better and more comprehensive science and educational studies. For example, the SYNSEIS portlet in GEON enables users to access in near-real time seismic waveforms from the IRIS Data Management Center, easily build a 3D geologic model within the area of the seismic station(s) and the epicenter and perform a 3D synthetic seismogram analysis to understand the lithospheric structure and earthquake source parameters for any given earthquake in the US. Similarly, GEON's workbench area enables users to create their own work environment and copy, visualize and analyze any data sets within the network, and create subsets of the data sets for their own purposes. Since all these resources are built as part of a Service-oriented Architecture (SOA), they are also used in other development platforms. One such platform is Kepler Workflow system which can access web service based resources and provides users with graphical programming interfaces to build a model to conduct computations and/or visualization efforts using the networked resources. Developments in the area of semantic integration of the networked datasets continue to advance and prototype studies can be accessed via the GEON portal at www.geongrid.org

Development of seismic tomography software for hybrid supercomputers

NASA Astrophysics Data System (ADS)

Nikitin, Alexandr; Serdyukov, Alexandr; Duchkov, Anton

2015-04-01

Seismic tomography is a technique used for computing velocity model of geologic structure from first arrival travel times of seismic waves. The technique is used in processing of regional and global seismic data, in seismic exploration for prospecting and exploration of mineral and hydrocarbon deposits, and in seismic engineering for monitoring the condition of engineering structures and the surrounding host medium. As a consequence of development of seismic monitoring systems and increasing volume of seismic data, there is a growing need for new, more effective computational algorithms for use in seismic tomography applications with improved performance, accuracy and resolution. To achieve this goal, it is necessary to use modern high performance computing systems, such as supercomputers with hybrid architecture that use not only CPUs, but also accelerators and co-processors for computation. The goal of this research is the development of parallel seismic tomography algorithms and software package for such systems, to be used in processing of large volumes of seismic data (hundreds of gigabytes and more). These algorithms and software package will be optimized for the most common computing devices used in modern hybrid supercomputers, such as Intel Xeon CPUs, NVIDIA Tesla accelerators and Intel Xeon Phi co-processors. In this work, the following general scheme of seismic tomography is utilized. Using the eikonal equation solver, arrival times of seismic waves are computed based on assumed velocity model of geologic structure being analyzed. In order to solve the linearized inverse problem, tomographic matrix is computed that connects model adjustments with travel time residuals, and the resulting system of linear equations is regularized and solved to adjust the model. The effectiveness of parallel implementations of existing algorithms on target architectures is considered. During the first stage of this work, algorithms were developed for execution on supercomputers using multicore CPUs only, with preliminary performance tests showing good parallel efficiency on large numerical grids. Porting of the algorithms to hybrid supercomputers is currently ongoing.

Raising Virtual Laboratories in Australia onto global platforms

NASA Astrophysics Data System (ADS)

Wyborn, L. A.; Barker, M.; Fraser, R.; Evans, B. J. K.; Moloney, G.; Proctor, R.; Moise, A. F.; Hamish, H.

2016-12-01

Across the globe, Virtual Laboratories (VLs), Science Gateways (SGs), and Virtual Research Environments (VREs) are being developed that enable users who are not co-located to actively work together at various scales to share data, models, tools, software, workflows, best practices, etc. Outcomes range from enabling `long tail' researchers to more easily access specific data collections, to facilitating complex workflows on powerful supercomputers. In Australia, government funding has facilitated the development of a range of VLs through the National eResearch Collaborative Tools and Resources (NeCTAR) program. The VLs provide highly collaborative, research-domain oriented, integrated software infrastructures that meet user community needs. Twelve VLs have been funded since 2012, including the Virtual Geophysics Laboratory (VGL); Virtual Hazards, Impact and Risk Laboratory (VHIRL); Climate and Weather Science Laboratory (CWSLab); Marine Virtual Laboratory (MarVL); and Biodiversity and Climate Change Virtual Laboratory (BCCVL). These VLs share similar technical challenges, with common issues emerging on integration of tools, applications and access data collections via both cloud-based environments and other distributed resources. While each VL began with a focus on a specific research domain, communities of practice have now formed across the VLs around common issues, and facilitate identification of best practice case studies, and new standards. As a result, tools are now being shared where the VLs access data via data services using international standards such as ISO, OGC, W3C. The sharing of these approaches is starting to facilitate re-usability of infrastructure and is a step towards supporting interdisciplinary research. Whilst the focus of the VLs are Australia-centric, by using standards, these environments are able to be extended to analysis on other international datasets. Many VL datasets are subsets of global datasets and so extension to global is a small (and often requested) step. Similarly, most of the tools, software, and other technologies could be shared across infrastructures globally. Therefore, it is now time to better connect the Australian VLs with similar initiatives elsewhere to create international platforms that can contribute to global research challenges.

The Yambo code: a comprehensive tool to perform ab-initio simulations of equilibrium and out-of-equilibrium properties

NASA Astrophysics Data System (ADS)

Marini, Andrea

Density functional theory and many-body perturbation theory methods (such as GW and Bethe-Selpether equation) are standard approaches to the equilibrium ground and excited state properties of condensed matter systems, surfaces, molecules and other several kind of materials. At the same time ultra-fast optical spectroscopy is becoming a widely used and powerful tool for the observation of the out-of-equilibrium dynamical processes. In this case the theoretical tools (such as the Baym-Kadanoff equation) are well known but, only recently, have been merged with the ab-Initio approach. And, for this reason, highly parallel and efficient codes are lacking. Nevertheless, the combination of these two areas of research represents, for the ab-initio community, a challenging prespective as it requires the development of advanced theoretical, methodological and numerical tools. Yambo is a popular community software implementing the above methods using plane-waves and pseudo-potentials. Yambo is available to the community as open-source software, and oriented to high-performance computing. The Yambo project aims at making the simulation of these equilibrium and out-of-equilibrium complex processes available to a wide community of users. Indeed the code is used, in practice, in many countries and well beyond the European borders. Yambo is a member of the suite of codes of the MAX European Center of Excellence (Materials design at the exascale) . It is also used by the user facilities of the European Spectroscopy Facility and of the NFFA European Center (nanoscience foundries & fine analysis). In this talk I will discuss some recent numerical and methodological developments that have been implemented in Yambo towards to exploitation of next generation HPC supercomputers. In particular, I will present the hybrid MPI+OpenMP parallelization and the specific case of the response function calculation. I will also discuss the future plans of the Yambo project and its potential use as tool for science dissemination, also in third world countries. Etsf, MAX European Center of Excellence and NFFA European Center.

By Hand or Not By-Hand: A Case Study of Alternative Approaches to Parallelize CFD Applications

NASA Technical Reports Server (NTRS)

Yan, Jerry C.; Bailey, David (Technical Monitor)

1997-01-01

While parallel processing promises to speed up applications by several orders of magnitude, the performance achieved still depends upon several factors, including the multiprocessor architecture, system software, data distribution and alignment, as well as the methods used for partitioning the application and mapping its components onto the architecture. The existence of the Gorden Bell Prize given out at Supercomputing every year suggests that while good performance can be attained for real applications on general purpose multiprocessors, the large investment in man-power and time still has to be repeated for each application-machine combination. As applications and machine architectures become more complex, the cost and time-delays for obtaining performance by hand will become prohibitive. Computer users today can turn to three possible avenues for help: parallel libraries, parallel languages and compilers, interactive parallelization tools. The success of these methodologies, in turn, depends on proper application of data dependency analysis, program structure recognition and transformation, performance prediction as well as exploitation of user supplied knowledge. NASA has been developing multidisciplinary applications on highly parallel architectures under the High Performance Computing and Communications Program. Over the past six years, the transition of underlying hardware and system software have forced the scientists to spend a large effort to migrate and recede their applications. Various attempts to exploit software tools to automate the parallelization process have not produced favorable results. In this paper, we report our most recent experience with CAPTOOL, a package developed at Greenwich University. We have chosen CAPTOOL for three reasons: 1. CAPTOOL accepts a FORTRAN 77 program as input. This suggests its potential applicability to a large collection of legacy codes currently in use. 2. CAPTOOL employs domain decomposition to obtain parallelism. Although the fact that not all kinds of parallelism are handled may seem unappealing, many NASA applications in computational aerosciences as well as earth and space sciences are amenable to domain decomposition. 3. CAPTOOL generates code for a large variety of environments employed across NASA centers: MPI/PVM on network of workstations to the IBS/SP2 and CRAY/T3D.

A Long History of Supercomputing

ScienceCinema

Grider, Gary

2018-06-13

As part of its national security science mission, Los Alamos National Laboratory and HPC have a long, entwined history dating back to the earliest days of computing. From bringing the first problem to the nation’s first computer to building the first machine to break the petaflop barrier, Los Alamos holds many “firsts” in HPC breakthroughs. Today, supercomputers are integral to stockpile stewardship and the Laboratory continues to work with vendors in developing the future of HPC.

LightForce Photon-Pressure Collision Avoidance: Updated Efficiency Analysis Utilizing a Highly Parallel Simulation Approach

DTIC Science & Technology

2014-09-01

simulation time frame from 30 days to one year. This was enabled by porting the simulation to the Pleiades supercomputer at NASA Ames Research Center, a...including the motivation for changes to our past approach. We then present the software implementation (3) on the NASA Ames Pleiades supercomputer...significantly updated since last year’s paper [25]. The main incentive for that was the shift to a highly parallel approach in order to utilize the Pleiades

Parallel-Vector Algorithm For Rapid Structural Anlysis

NASA Technical Reports Server (NTRS)

Agarwal, Tarun R.; Nguyen, Duc T.; Storaasli, Olaf O.

1993-01-01

New algorithm developed to overcome deficiency of skyline storage scheme by use of variable-band storage scheme. Exploits both parallel and vector capabilities of modern high-performance computers. Gives engineers and designers opportunity to include more design variables and constraints during optimization of structures. Enables use of more refined finite-element meshes to obtain improved understanding of complex behaviors of aerospace structures leading to better, safer designs. Not only attractive for current supercomputers but also for next generation of shared-memory supercomputers.

Development and Applications of a Modular Parallel Process for Large Scale Fluid/Structures Problems

NASA Technical Reports Server (NTRS)

Guruswamy, Guru P.; Kwak, Dochan (Technical Monitor)

2002-01-01

A modular process that can efficiently solve large scale multidisciplinary problems using massively parallel supercomputers is presented. The process integrates disciplines with diverse physical characteristics by retaining the efficiency of individual disciplines. Computational domain independence of individual disciplines is maintained using a meta programming approach. The process integrates disciplines without affecting the combined performance. Results are demonstrated for large scale aerospace problems on several supercomputers. The super scalability and portability of the approach is demonstrated on several parallel computers.

Science and Technology Review June 2000

DOE Office of Scientific and Technical Information (OSTI.GOV)

de Pruneda, J.H.

2000-06-01

This issue contains the following articles: (1) ''Accelerating on the ASCI Challenge''. (2) ''New Day Daws in Supercomputing'' When the ASCI White supercomputer comes online this summer, DOE's Stockpile Stewardship Program will make another significant advanced toward helping to ensure the safety, reliability, and performance of the nation's nuclear weapons. (3) ''Uncovering the Secrets of Actinides'' Researchers are obtaining fundamental information about the actinides, a group of elements with a key role in nuclear weapons and fuels. (4) ''A Predictable Structure for Aerogels''. (5) ''Tibet--Where Continents Collide''.

Role of HPC in Advancing Computational Aeroelasticity

NASA Technical Reports Server (NTRS)

Guruswamy, Guru P.

2004-01-01

On behalf of the High Performance Computing and Modernization Program (HPCMP) and NASA Advanced Supercomputing Division (NAS) a study is conducted to assess the role of supercomputers on computational aeroelasticity of aerospace vehicles. The study is mostly based on the responses to a web based questionnaire that was designed to capture the nuances of high performance computational aeroelasticity, particularly on parallel computers. A procedure is presented to assign a fidelity-complexity index to each application. Case studies based on major applications using HPCMP resources are presented.

Heart Fibrillation and Parallel Supercomputers

NASA Technical Reports Server (NTRS)

Kogan, B. Y.; Karplus, W. J.; Chudin, E. E.

1997-01-01

The Luo and Rudy 3 cardiac cell mathematical model is implemented on the parallel supercomputer CRAY - T3D. The splitting algorithm combined with variable time step and an explicit method of integration provide reasonable solution times and almost perfect scaling for rectilinear wave propagation. The computer simulation makes it possible to observe new phenomena: the break-up of spiral waves caused by intracellular calcium and dynamics and the non-uniformity of the calcium distribution in space during the onset of the spiral wave.

AIC Computations Using Navier-Stokes Equations on Single Image Supercomputers For Design Optimization

NASA Technical Reports Server (NTRS)

Guruswamy, Guru

2004-01-01

A procedure to accurately generate AIC using the Navier-Stokes solver including grid deformation is presented. Preliminary results show good comparisons between experiment and computed flutter boundaries for a rectangular wing. A full wing body configuration of an orbital space plane is selected for demonstration on a large number of processors. In the final paper the AIC of full wing body configuration will be computed. The scalability of the procedure on supercomputer will be demonstrated.

Discover Supercomputer 5

NASA Image and Video Library

2017-12-08

Two rows of the “Discover” supercomputer at the NASA Center for Climate Simulation (NCCS) contain more than 4,000 computer processors. Discover has a total of nearly 15,000 processors. Credit: NASA/Pat Izzo To learn more about NCCS go to: www.nasa.gov/topics/earth/features/climate-sim-center.html NASA Goddard Space Flight Center is home to the nation's largest organization of combined scientists, engineers and technologists that build spacecraft, instruments and new technology to study the Earth, the sun, our solar system, and the universe.

Discover Supercomputer 4

NASA Image and Video Library

2017-12-08

This close-up view highlights one row—approximately 2,000 computer processors—of the “Discover” supercomputer at the NASA Center for Climate Simulation (NCCS). Discover has a total of nearly 15,000 processors. Credit: NASA/Pat Izzo To learn more about NCCS go to: www.nasa.gov/topics/earth/features/climate-sim-center.html NASA Goddard Space Flight Center is home to the nation's largest organization of combined scientists, engineers and technologists that build spacecraft, instruments and new technology to study the Earth, the sun, our solar system, and the universe.

Present Status and Extensions of the Monte Carlo Performance Benchmark

NASA Astrophysics Data System (ADS)

Hoogenboom, J. Eduard; Petrovic, Bojan; Martin, William R.

2014-06-01

The NEA Monte Carlo Performance benchmark started in 2011 aiming to monitor over the years the abilities to perform a full-size Monte Carlo reactor core calculation with a detailed power production for each fuel pin with axial distribution. This paper gives an overview of the contributed results thus far. It shows that reaching a statistical accuracy of 1 % for most of the small fuel zones requires about 100 billion neutron histories. The efficiency of parallel execution of Monte Carlo codes on a large number of processor cores shows clear limitations for computer clusters with common type computer nodes. However, using true supercomputers the speedup of parallel calculations is increasing up to large numbers of processor cores. More experience is needed from calculations on true supercomputers using large numbers of processors in order to predict if the requested calculations can be done in a short time. As the specifications of the reactor geometry for this benchmark test are well suited for further investigations of full-core Monte Carlo calculations and a need is felt for testing other issues than its computational performance, proposals are presented for extending the benchmark to a suite of benchmark problems for evaluating fission source convergence for a system with a high dominance ratio, for coupling with thermal-hydraulics calculations to evaluate the use of different temperatures and coolant densities and to study the correctness and effectiveness of burnup calculations. Moreover, other contemporary proposals for a full-core calculation with realistic geometry and material composition will be discussed.

Towards Integrating Distributed Energy Resources and Storage Devices in Smart Grid.

PubMed

Xu, Guobin; Yu, Wei; Griffith, David; Golmie, Nada; Moulema, Paul

2017-02-01

Internet of Things (IoT) provides a generic infrastructure for different applications to integrate information communication techniques with physical components to achieve automatic data collection, transmission, exchange, and computation. The smart grid, as one of typical applications supported by IoT, denoted as a re-engineering and a modernization of the traditional power grid, aims to provide reliable, secure, and efficient energy transmission and distribution to consumers. How to effectively integrate distributed (renewable) energy resources and storage devices to satisfy the energy service requirements of users, while minimizing the power generation and transmission cost, remains a highly pressing challenge in the smart grid. To address this challenge and assess the effectiveness of integrating distributed energy resources and storage devices, in this paper we develop a theoretical framework to model and analyze three types of power grid systems: the power grid with only bulk energy generators, the power grid with distributed energy resources, and the power grid with both distributed energy resources and storage devices. Based on the metrics of the power cumulative cost and the service reliability to users, we formally model and analyze the impact of integrating distributed energy resources and storage devices in the power grid. We also use the concept of network calculus, which has been traditionally used for carrying out traffic engineering in computer networks, to derive the bounds of both power supply and user demand to achieve a high service reliability to users. Through an extensive performance evaluation, our data shows that integrating distributed energy resources conjointly with energy storage devices can reduce generation costs, smooth the curve of bulk power generation over time, reduce bulk power generation and power distribution losses, and provide a sustainable service reliability to users in the power grid.

Towards Integrating Distributed Energy Resources and Storage Devices in Smart Grid

PubMed Central

Xu, Guobin; Yu, Wei; Griffith, David; Golmie, Nada; Moulema, Paul

2017-01-01

Internet of Things (IoT) provides a generic infrastructure for different applications to integrate information communication techniques with physical components to achieve automatic data collection, transmission, exchange, and computation. The smart grid, as one of typical applications supported by IoT, denoted as a re-engineering and a modernization of the traditional power grid, aims to provide reliable, secure, and efficient energy transmission and distribution to consumers. How to effectively integrate distributed (renewable) energy resources and storage devices to satisfy the energy service requirements of users, while minimizing the power generation and transmission cost, remains a highly pressing challenge in the smart grid. To address this challenge and assess the effectiveness of integrating distributed energy resources and storage devices, in this paper we develop a theoretical framework to model and analyze three types of power grid systems: the power grid with only bulk energy generators, the power grid with distributed energy resources, and the power grid with both distributed energy resources and storage devices. Based on the metrics of the power cumulative cost and the service reliability to users, we formally model and analyze the impact of integrating distributed energy resources and storage devices in the power grid. We also use the concept of network calculus, which has been traditionally used for carrying out traffic engineering in computer networks, to derive the bounds of both power supply and user demand to achieve a high service reliability to users. Through an extensive performance evaluation, our data shows that integrating distributed energy resources conjointly with energy storage devices can reduce generation costs, smooth the curve of bulk power generation over time, reduce bulk power generation and power distribution losses, and provide a sustainable service reliability to users in the power grid1. PMID:29354654

Optimal Coordination of Building Loads and Energy Storage for Power Grid and End User Services

DOE PAGES

Hao, He; Wu, Di; Lian, Jianming; ...

2017-01-18

Demand response and energy storage play a profound role in the smart grid. The focus of this study is to evaluate benefits of coordinating flexible loads and energy storage to provide power grid and end user services. We present a Generalized Battery Model (GBM) to describe the flexibility of building loads and energy storage. An optimization-based approach is proposed to characterize the parameters (power and energy limits) of the GBM for flexible building loads. We then develop optimal coordination algorithms to provide power grid and end user services such as energy arbitrage, frequency regulation, spinning reserve, as well as energymore » cost and demand charge reduction. Several case studies have been performed to demonstrate the efficacy of the GBM and coordination algorithms, and evaluate the benefits of using their flexibility for power grid and end user services. We show that optimal coordination yields significant cost savings and revenue. Moreover, the best option for power grid services is to provide energy arbitrage and frequency regulation. Finally and furthermore, when coordinating flexible loads with energy storage to provide end user services, it is recommended to consider demand charge in addition to time-of-use price in order to flatten the aggregate power profile.« less

Dependence and resistance in community mental health care-Negotiations of user participation between staff and users.

PubMed

Femdal, I; Knutsen, I R

2017-10-01

WHAT IS KNOWN ON THE SUBJECT?: Implementation of user participation is described as a change from a paternalistic healthcare system to ideals of democratization where users' voices are heard in relational interplays with health professionals. The ideological shift involves a transition from welfare dependency and professional control towards more active service-user roles with associated rights and responsibilities. A collaborative relationship between users and professionals in mental health services is seen as important by both parties. Nevertheless, the health professionals find it challenging in practice to reorient their roles and to find productive ways to cooperate. WHAT THIS PAPER ADDS TO EXISTING KNOWLEDGE?: This study illuminates how user participation is negotiated and involves multiple and shifting subject positions in the collaboration between users and professionals in community mental health care. By taking different positions, the relationship between users and professionals develops through dynamic interaction. This study challenges understandings of equality and implicit "truths" in user participation by illuminating subtle forms of power and dilemmas that arise in user-professional negotiations. WHAT ARE THE IMPLICATIONS FOR PRACTICE?: Instead of denying the appearance of power, it is important to question the execution of power in the interplay between users and professionals. Focusing on the negotiation processes between users and professionals is important for increasing reflection on and improving understanding of the dynamic in collaboration and speech. By focusing on negotiations, power can be used in productive ways in user-professional relationships. Introduction Implementation of user participation is considered important in today's mental health care. Research shows, however, that user participation lacks clarity and provokes uncertainty regarding shifting roles. Aim To investigate negotiation of user participation in a microstudy of interplay between users and health professionals in community mental health care. Method This qualitative study is based on semi-structured in-depth interviews, involving ten service users and ten professionals in community mental health care in Norway. The analysis is inspired by Willig's model for Foucauldian discourse analysis. Results The study illuminates the dynamic nature of user participation that arises through negotiation between users' and professionals' positions as change enablers, dependents, resisters, persuaders and knowledge holders. Discussion Discourses of user participation allow for different subject positions in mental health care. User participation also involves government and questions of power, as well as ambitions of change and control. Professionals act in different ways to make and keep users active, participating, enterprising and self-governing, and users respond and take part within the same discursive framework. Implications for practice Awareness of subjects' positions in discourses is important to increase reflection on the dynamic interplay in user-professional collaboration. © 2017 John Wiley & Sons Ltd.

Extreme Scale Plasma Turbulence Simulations on Top Supercomputers Worldwide

DOE PAGES

Tang, William; Wang, Bei; Ethier, Stephane; ...

2016-11-01

The goal of the extreme scale plasma turbulence studies described in this paper is to expedite the delivery of reliable predictions on confinement physics in large magnetic fusion systems by using world-class supercomputers to carry out simulations with unprecedented resolution and temporal duration. This has involved architecture-dependent optimizations of performance scaling and addressing code portability and energy issues, with the metrics for multi-platform comparisons being 'time-to-solution' and 'energy-to-solution'. Realistic results addressing how confinement losses caused by plasma turbulence scale from present-day devices to the much larger $25 billion international ITER fusion facility have been enabled by innovative advances in themore » GTC-P code including (i) implementation of one-sided communication from MPI 3.0 standard; (ii) creative optimization techniques on Xeon Phi processors; and (iii) development of a novel performance model for the key kernels of the PIC code. Our results show that modeling data movement is sufficient to predict performance on modern supercomputer platforms.« less

Computational fluid dynamics research at the United Technologies Research Center requiring supercomputers

NASA Astrophysics Data System (ADS)

Landgrebe, Anton J.

1987-03-01

An overview of research activities at the United Technologies Research Center (UTRC) in the area of Computational Fluid Dynamics (CFD) is presented. The requirement and use of various levels of computers, including supercomputers, for the CFD activities is described. Examples of CFD directed toward applications to helicopters, turbomachinery, heat exchangers, and the National Aerospace Plane are included. Helicopter rotor codes for the prediction of rotor and fuselage flow fields and airloads were developed with emphasis on rotor wake modeling. Airflow and airload predictions and comparisons with experimental data are presented. Examples are presented of recent parabolized Navier-Stokes and full Navier-Stokes solutions for hypersonic shock-wave/boundary layer interaction, and hydrogen/air supersonic combustion. In addition, other examples of CFD efforts in turbomachinery Navier-Stokes methodology and separated flow modeling are presented. A brief discussion of the 3-tier scientific computing environment is also presented, in which the researcher has access to workstations, mid-size computers, and supercomputers.

Computational fluid dynamics research at the United Technologies Research Center requiring supercomputers

NASA Technical Reports Server (NTRS)

Landgrebe, Anton J.

1987-01-01

An overview of research activities at the United Technologies Research Center (UTRC) in the area of Computational Fluid Dynamics (CFD) is presented. The requirement and use of various levels of computers, including supercomputers, for the CFD activities is described. Examples of CFD directed toward applications to helicopters, turbomachinery, heat exchangers, and the National Aerospace Plane are included. Helicopter rotor codes for the prediction of rotor and fuselage flow fields and airloads were developed with emphasis on rotor wake modeling. Airflow and airload predictions and comparisons with experimental data are presented. Examples are presented of recent parabolized Navier-Stokes and full Navier-Stokes solutions for hypersonic shock-wave/boundary layer interaction, and hydrogen/air supersonic combustion. In addition, other examples of CFD efforts in turbomachinery Navier-Stokes methodology and separated flow modeling are presented. A brief discussion of the 3-tier scientific computing environment is also presented, in which the researcher has access to workstations, mid-size computers, and supercomputers.

Antenna pattern control using impedance surfaces

NASA Technical Reports Server (NTRS)

Balanis, Constantine A.; Liu, Kefeng

1992-01-01

During this research period, we have effectively transferred existing computer codes from CRAY supercomputer to work station based systems. The work station based version of our code preserved the accuracy of the numerical computations while giving a much better turn-around time than the CRAY supercomputer. Such a task relieved us of the heavy dependence of the supercomputer account budget and made codes developed in this research project more feasible for applications. The analysis of pyramidal horns with impedance surfaces was our major focus during this research period. Three different modeling algorithms in analyzing lossy impedance surfaces were investigated and compared with measured data. Through this investigation, we discovered that a hybrid Fourier transform technique, which uses the eigen mode in the stepped waveguide section and the Fourier transformed field distributions across the stepped discontinuities for lossy impedances coating, gives a better accuracy in analyzing lossy coatings. After a further refinement of the present technique, we will perform an accurate radiation pattern synthesis in the coming reporting period.

An observational study of powered wheelchair provision in Italy.

PubMed

Salatino, Claudia; Andrich, Renzo; Converti, R M; Saruggia, M

2016-01-01

Powered wheelchairs are complex and expensive assistive devices that must be selected and configured on the basis of individual user needs, lifestyle, motivation, driving ability, and environment. Providing agencies often require evidence that their financial investment will lead to a successful outcome. The authors surveyed a sample of 79 users who had obtained powered wheelchairs from a Regional Health Service in Italy in the period 2008-2013. Follow-up interviews were conducted at the users' homes in order to collect information about wheelchair use, and its effectiveness, usefulness, and economic impact. The instruments used in the interviews included an introductory questionnaire, QUEST (Quebec User Evaluation of Satisfaction with Assistive Technology), PIADS (Psychosocial Impact of Assistive Devices Scale), FABS/M (Facilitators and Barriers Survey/Mobility), and SCAI (Siva Cost Analysis Instrument). The results indicated positive outcomes, especially in relation to user satisfaction and psychosocial impact. A number of barriers were identified in various settings that sometimes restrict user mobility, and suggest corrective actions. The provision of a powered wheelchair generated considerable savings in social costs for most users: an average of about $38,000 per person over a projected 5-year period was estimated by comparing the cost of the intervention with that of non-intervention.

GPU acceleration of particle-in-cell methods

NASA Astrophysics Data System (ADS)

Cowan, Benjamin; Cary, John; Meiser, Dominic

2015-11-01

Graphics processing units (GPUs) have become key components in many supercomputing systems, as they can provide more computations relative to their cost and power consumption than conventional processors. However, to take full advantage of this capability, they require a strict programming model which involves single-instruction multiple-data execution as well as significant constraints on memory accesses. To bring the full power of GPUs to bear on plasma physics problems, we must adapt the computational methods to this new programming model. We have developed a GPU implementation of the particle-in-cell (PIC) method, one of the mainstays of plasma physics simulation. This framework is highly general and enables advanced PIC features such as high order particles and absorbing boundary conditions. The main elements of the PIC loop, including field interpolation and particle deposition, are designed to optimize memory access. We describe the performance of these algorithms and discuss some of the methods used. Work supported by DARPA contract W31P4Q-15-C-0061 (SBIR).

Superstatistical generalised Langevin equation: non-Gaussian viscoelastic anomalous diffusion

NASA Astrophysics Data System (ADS)

Ślęzak, Jakub; Metzler, Ralf; Magdziarz, Marcin

2018-02-01

Recent advances in single particle tracking and supercomputing techniques demonstrate the emergence of normal or anomalous, viscoelastic diffusion in conjunction with non-Gaussian distributions in soft, biological, and active matter systems. We here formulate a stochastic model based on a generalised Langevin equation in which non-Gaussian shapes of the probability density function and normal or anomalous diffusion have a common origin, namely a random parametrisation of the stochastic force. We perform a detailed analysis demonstrating how various types of parameter distributions for the memory kernel result in exponential, power law, or power-log law tails of the memory functions. The studied system is also shown to exhibit a further unusual property: the velocity has a Gaussian one point probability density but non-Gaussian joint distributions. This behaviour is reflected in the relaxation from a Gaussian to a non-Gaussian distribution observed for the position variable. We show that our theoretical results are in excellent agreement with stochastic simulations.

Developing software to use parallel processing effectively. Final report, June-December 1987

DOE Office of Scientific and Technical Information (OSTI.GOV)

Center, J.

1988-10-01

This report describes the difficulties involved in writing efficient parallel programs and describes the hardware and software support currently available for generating software that utilizes processing effectively. Historically, the processing rate of single-processor computers has increased by one order of magnitude every five years. However, this pace is slowing since electronic circuitry is coming up against physical barriers. Unfortunately, the complexity of engineering and research problems continues to require ever more processing power (far in excess of the maximum estimated 3 Gflops achievable by single-processor computers). For this reason, parallel-processing architectures are receiving considerable interest, since they offer high performancemore » more cheaply than a single-processor supercomputer, such as the Cray.« less

Chasing Exoplanets

NASA Technical Reports Server (NTRS)

Jenkins, Jon M.

2017-01-01

NASA's Kepler Mission was launched in March 2009 as NASA's first mission capable of finding Earth-size planets orbiting in the habitable zone of Sun-like stars, that range of distances for which liquid water would pool on the surface of a rocky planet. Kepler has discovered over 1000 planets and over 4600 candidates, many of them as small as the Earth. Today, Kepler's amazing success seems to be a fait accompli to those unfamiliar with her history. But twenty years ago, there were no planets known outside our solar system, and few people believed it was possible to detect tiny Earth-size planets orbiting other stars. Motivating NASA to select Kepler for launch required a confluence of the right detector technology, advances in signal processing and algorithms, and the power of supercomputing.