Improved Access to Supercomputers Boosts Chemical Applications.

ERIC Educational Resources Information Center

Borman, Stu

1989-01-01

Supercomputing is described in terms of computing power and abilities. The increase in availability of supercomputers for use in chemical calculations and modeling are reported. Efforts of the National Science Foundation and Cray Research are highlighted. (CW)

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.

Federated data storage system prototype for LHC experiments and data intensive science

NASA Astrophysics Data System (ADS)

Kiryanov, A.; Klimentov, A.; Krasnopevtsev, D.; Ryabinkin, E.; Zarochentsev, A.

2017-10-01

Rapid increase of data volume from the experiments running at the Large Hadron Collider (LHC) prompted physics computing community to evaluate new data handling and processing solutions. Russian grid sites and universities’ clusters scattered over a large area aim at the task of uniting their resources for future productive work, at the same time giving an opportunity to support large physics collaborations. In our project we address the fundamental problem of designing a computing architecture to integrate distributed storage resources for LHC experiments and other data-intensive science applications and to provide access to data from heterogeneous computing facilities. Studies include development and implementation of federated data storage prototype for Worldwide LHC Computing Grid (WLCG) centres of different levels and University clusters within one National Cloud. The prototype is based on computing resources located in Moscow, Dubna, Saint Petersburg, Gatchina and Geneva. This project intends to implement a federated distributed storage for all kind of operations such as read/write/transfer and access via WAN from Grid centres, university clusters, supercomputers, academic and commercial clouds. The efficiency and performance of the system are demonstrated using synthetic and experiment-specific tests including real data processing and analysis workflows from ATLAS and ALICE experiments, as well as compute-intensive bioinformatics applications (PALEOMIX) running on supercomputers. We present topology and architecture of the designed system, report performance and statistics for different access patterns and show how federated data storage can be used efficiently by physicists and biologists. We also describe how sharing data on a widely distributed storage system can lead to a new computing model and reformations of computing style, for instance how bioinformatics program running on supercomputers can read/write data from the federated storage.

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…

Breakthrough: NETL's Simulation-Based Engineering User Center (SBEUC)

ScienceCinema

Guenther, Chris

2018-05-23

The National Energy Technology Laboratory relies on supercomputers to develop many novel ideas that become tomorrow's energy solutions. Supercomputers provide a cost-effective, efficient platform for research and usher technologies into widespread use faster to bring benefits to the nation. In 2013, Secretary of Energy Dr. Ernest Moniz dedicated NETL's new supercomputer, the Simulation Based Engineering User Center, or SBEUC. The SBEUC is dedicated to fossil energy research and is a collaborative tool for all of NETL and our regional university partners.

Breakthrough: NETL's Simulation-Based Engineering User Center (SBEUC)

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

Guenther, Chris

The National Energy Technology Laboratory relies on supercomputers to develop many novel ideas that become tomorrow's energy solutions. Supercomputers provide a cost-effective, efficient platform for research and usher technologies into widespread use faster to bring benefits to the nation. In 2013, Secretary of Energy Dr. Ernest Moniz dedicated NETL's new supercomputer, the Simulation Based Engineering User Center, or SBEUC. The SBEUC is dedicated to fossil energy research and is a collaborative tool for all of NETL and our regional university partners.

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

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…

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

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…

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.

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

Desktop supercomputer: what can it do?

NASA Astrophysics Data System (ADS)

Bogdanov, A.; Degtyarev, A.; Korkhov, V.

2017-12-01

The paper addresses the issues of solving complex problems that require using supercomputers or multiprocessor clusters available for most researchers nowadays. Efficient distribution of high performance computing resources according to actual application needs has been a major research topic since high-performance computing (HPC) technologies became widely introduced. At the same time, comfortable and transparent access to these resources was a key user requirement. In this paper we discuss approaches to build a virtual private supercomputer available at user's desktop: a virtual computing environment tailored specifically for a target user with a particular target application. We describe and evaluate possibilities to create the virtual supercomputer based on light-weight virtualization technologies, and analyze the efficiency of our approach compared to traditional methods of HPC resource management.

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.

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.

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.

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.

The Centre of High-Performance Scientific Computing, Geoverbund, ABC/J - Geosciences enabled by HPSC

NASA Astrophysics Data System (ADS)

Kollet, Stefan; Görgen, Klaus; Vereecken, Harry; Gasper, Fabian; Hendricks-Franssen, Harrie-Jan; Keune, Jessica; Kulkarni, Ketan; Kurtz, Wolfgang; Sharples, Wendy; Shrestha, Prabhakar; Simmer, Clemens; Sulis, Mauro; Vanderborght, Jan

2016-04-01

The Centre of High-Performance Scientific Computing (HPSC TerrSys) was founded 2011 to establish a centre of competence in high-performance scientific computing in terrestrial systems and the geosciences enabling fundamental and applied geoscientific research in the Geoverbund ABC/J (geoscientfic research alliance of the Universities of Aachen, Cologne, Bonn and the Research Centre Jülich, Germany). The specific goals of HPSC TerrSys are to achieve relevance at the national and international level in (i) the development and application of HPSC technologies in the geoscientific community; (ii) student education; (iii) HPSC services and support also to the wider geoscientific community; and in (iv) the industry and public sectors via e.g., useful applications and data products. A key feature of HPSC TerrSys is the Simulation Laboratory Terrestrial Systems, which is located at the Jülich Supercomputing Centre (JSC) and provides extensive capabilities with respect to porting, profiling, tuning and performance monitoring of geoscientific software in JSC's supercomputing environment. We will present a summary of success stories of HPSC applications including integrated terrestrial model development, parallel profiling and its application from watersheds to the continent; massively parallel data assimilation using physics-based models and ensemble methods; quasi-operational terrestrial water and energy monitoring; and convection permitting climate simulations over Europe. The success stories stress the need for a formalized education of students in the application of HPSC technologies in future.

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

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)

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.

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

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.

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.

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

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.

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.

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

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.

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.

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.

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.

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

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

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.

Radio Astronomy at the Centre for High Performance Computing in South Africa

NASA Astrophysics Data System (ADS)

Catherine Cress; UWC Simulation Team

2014-04-01

I will present results on galaxy evolution and cosmology which we obtained using the supercomputing facilities at the CHPC. These include cosmological-scale N-body simulations modelling neutral hydrogen as well as the study of the clustering of radio galaxies to probe the relationship between dark and luminous matter in the universe. I will also discuss the various roles that the CHPC is playing in Astronomy in SA, including the provision of HPC for a variety of Astronomical applications, the provision of storage for radio data, our educational programs and our participation in planning for the SKA.

Discover Supercomputer 3

NASA Image and Video Library

2017-12-08

The heart of the NASA Center for Climate Simulation (NCCS) is the “Discover” supercomputer. In 2009, NCCS added more than 8,000 computer processors to Discover, for 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 2

NASA Image and Video Library

2017-12-08

The heart of the NASA Center for Climate Simulation (NCCS) is the “Discover” supercomputer. In 2009, NCCS added more than 8,000 computer processors to Discover, for 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 1

NASA Image and Video Library

2017-12-08

The heart of the NASA Center for Climate Simulation (NCCS) is the “Discover” supercomputer. In 2009, NCCS added more than 8,000 computer processors to Discover, for 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.

HACC: Simulating sky surveys on state-of-the-art supercomputing architectures

NASA Astrophysics Data System (ADS)

Habib, Salman; Pope, Adrian; Finkel, Hal; Frontiere, Nicholas; Heitmann, Katrin; Daniel, David; Fasel, Patricia; Morozov, Vitali; Zagaris, George; Peterka, Tom; Vishwanath, Venkatram; Lukić, Zarija; Sehrish, Saba; Liao, Wei-keng

2016-01-01

Current and future surveys of large-scale cosmic structure are associated with a massive and complex datastream to study, characterize, and ultimately understand the physics behind the two major components of the 'Dark Universe', dark energy and dark matter. In addition, the surveys also probe primordial perturbations and carry out fundamental measurements, such as determining the sum of neutrino masses. Large-scale simulations of structure formation in the Universe play a critical role in the interpretation of the data and extraction of the physics of interest. Just as survey instruments continue to grow in size and complexity, so do the supercomputers that enable these simulations. Here we report on HACC (Hardware/Hybrid Accelerated Cosmology Code), a recently developed and evolving cosmology N-body code framework, designed to run efficiently on diverse computing architectures and to scale to millions of cores and beyond. HACC can run on all current supercomputer architectures and supports a variety of programming models and algorithms. It has been demonstrated at scale on Cell- and GPU-accelerated systems, standard multi-core node clusters, and Blue Gene systems. HACC's design allows for ease of portability, and at the same time, high levels of sustained performance on the fastest supercomputers available. We present a description of the design philosophy of HACC, the underlying algorithms and code structure, and outline implementation details for several specific architectures. We show selected accuracy and performance results from some of the largest high resolution cosmological simulations so far performed, including benchmarks evolving more than 3.6 trillion particles.

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.

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.

Development of the general interpolants method for the CYBER 200 series of supercomputers

NASA Technical Reports Server (NTRS)

Stalnaker, J. F.; Robinson, M. A.; Spradley, L. W.; Kurzius, S. C.; Thoenes, J.

1988-01-01

The General Interpolants Method (GIM) is a 3-D, time-dependent, hybrid procedure for generating numerical analogs of the conservation laws. This study is directed toward the development and application of the GIM computer code for fluid dynamic research applications as implemented for the Cyber 200 series of supercomputers. An elliptic and quasi-parabolic version of the GIM code are discussed. Turbulence models, algebraic and differential equations, were added to the basic viscous code. An equilibrium reacting chemistry model and an implicit finite difference scheme are also included.

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.

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

Particle simulation on heterogeneous distributed supercomputers

NASA Technical Reports Server (NTRS)

Becker, Jeffrey C.; Dagum, Leonardo

1993-01-01

We describe the implementation and performance of a three dimensional particle simulation distributed between a Thinking Machines CM-2 and a Cray Y-MP. These are connected by a combination of two high-speed networks: a high-performance parallel interface (HIPPI) and an optical network (UltraNet). This is the first application to use this configuration at NASA Ames Research Center. We describe our experience implementing and using the application and report the results of several timing measurements. We show that the distribution of applications across disparate supercomputing platforms is feasible and has reasonable performance. In addition, several practical aspects of the computing environment are discussed.

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

Illuminating the Universe's Ignition

DOE PAGES

Gedenk, Eric

2016-06-24

This paper tells the story of how a research team based at the University of Texas at Austin used supercomputing resources at the US Department of Energy's (DOE's) Oak Ridge National Laboratory to create the first fully coupled simulation of the reionization of our universe's local group. The team's models helped researchers understand how reionization helped form the universe as we know it today, predict the impact of dwarf galaxies on reionization, and set the stage for simulating larger volumes of the universe in greater detail.

International Assessment of Research and Development in Simulation-Based Engineering and Science. Panel Report

DTIC Science & Technology

2009-01-01

University of California, Berkeley. In this session, Dennis Gannon of Indiana University described the use of high performance computing for storm...Software Development (Session Introduction) Dennis Gannon Indiana University Software for Mesoscale Storm Prediction: Using Supercomputers for On...Ho, D. Ierardi, I. Kolossvary, J. Klepeis, T. Layman, C. McLeavey , M. Moraes, R. Mueller, E. Priest, Y. Shan, J. Spengler, M. Theobald, B. Towles

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.

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

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.

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

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.

Designing a connectionist network supercomputer.

PubMed

Asanović, K; Beck, J; Feldman, J; Morgan, N; Wawrzynek, J

1993-12-01

This paper describes an effort at UC Berkeley and the International Computer Science Institute to develop a supercomputer for artificial neural network applications. Our perspective has been strongly influenced by earlier experiences with the construction and use of a simpler machine. In particular, we have observed Amdahl's Law in action in our designs and those of others. These observations inspire attention to many factors beyond fast multiply-accumulate arithmetic. We describe a number of these factors along with rough expressions for their influence and then give the applications targets, machine goals and the system architecture for the machine we are currently designing.

Berkeley Lab - Science Video Glossary

Science.gov Websites

source neutrino astronomy protein crystallography quantum dot supercomputing supernova synchrotron universe neutrino astronomy supernova Earth Science atmospheric aerosols bioremediation carbon cycle nanotechnology neutrino neutrino astronomy O, P petabytes petaflop computing photon plasma plasmon protein

Searching for Baryon Acoustic Oscillations in Intergalactic Absorption: The Expanding Universe

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

None

This simulation follows the growth of density perturbations in both gas and dark matter components in a volume 1 billion light years on a side beginning shortly after the Big Bang and evolved to half the present age of the universe. Credits: Science: Michael L. Norman, Robert Harkness, Pascal Paschos, Rick Wagner, San Diego Supercomputer Center/University of California, San Diego Visualization: Mark Hereld, Joseph A. Insley, Michael E. Papka, Argonne National Laboratory; Eric C. Olson, University of Chicago

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.

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

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.

PoPLAR: Portal for Petascale Lifescience Applications and Research

PubMed Central

2013-01-01

Background We are focusing specifically on fast data analysis and retrieval in bioinformatics that will have a direct impact on the quality of human health and the environment. The exponential growth of data generated in biology research, from small atoms to big ecosystems, necessitates an increasingly large computational component to perform analyses. Novel DNA sequencing technologies and complementary high-throughput approaches--such as proteomics, genomics, metabolomics, and meta-genomics--drive data-intensive bioinformatics. While individual research centers or universities could once provide for these applications, this is no longer the case. Today, only specialized national centers can deliver the level of computing resources required to meet the challenges posed by rapid data growth and the resulting computational demand. Consequently, we are developing massively parallel applications to analyze the growing flood of biological data and contribute to the rapid discovery of novel knowledge. Methods The efforts of previous National Science Foundation (NSF) projects provided for the generation of parallel modules for widely used bioinformatics applications on the Kraken supercomputer. We have profiled and optimized the code of some of the scientific community's most widely used desktop and small-cluster-based applications, including BLAST from the National Center for Biotechnology Information (NCBI), HMMER, and MUSCLE; scaled them to tens of thousands of cores on high-performance computing (HPC) architectures; made them robust and portable to next-generation architectures; and incorporated these parallel applications in science gateways with a web-based portal. Results This paper will discuss the various developmental stages, challenges, and solutions involved in taking bioinformatics applications from the desktop to petascale with a front-end portal for very-large-scale data analysis in the life sciences. Conclusions This research will help to bridge the gap between the rate of data generation and the speed at which scientists can study this data. The ability to rapidly analyze data at such a large scale is having a significant, direct impact on science achieved by collaborators who are currently using these tools on supercomputers. PMID:23902523

The transition of a real-time single-rotor helicopter simulation program to a supercomputer

NASA Technical Reports Server (NTRS)

Martinez, Debbie

1995-01-01

This report presents the conversion effort and results of a real-time flight simulation application transition to a CONVEX supercomputer. Enclosed is a detailed description of the conversion process and a brief description of the Langley Research Center's (LaRC) flight simulation application program structure. Currently, this simulation program may be configured to represent Sikorsky S-61 helicopter (a five-blade, single-rotor, commercial passenger-type helicopter) or an Army Cobra helicopter (either the AH-1 G or AH-1 S model). This report refers to the Sikorsky S-61 simulation program since it is the most frequently used configuration.

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.

High performance computing for advanced modeling and simulation of materials

NASA Astrophysics Data System (ADS)

Wang, Jue; Gao, Fei; Vazquez-Poletti, Jose Luis; Li, Jianjiang

2017-02-01

The First International Workshop on High Performance Computing for Advanced Modeling and Simulation of Materials (HPCMS2015) was held in Austin, Texas, USA, Nov. 18, 2015. HPCMS 2015 was organized by Computer Network Information Center (Chinese Academy of Sciences), University of Michigan, Universidad Complutense de Madrid, University of Science and Technology Beijing, Pittsburgh Supercomputing Center, China Institute of Atomic Energy, and Ames Laboratory.

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.

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.

Analytical Applications of Monte Carlo Techniques.

ERIC Educational Resources Information Center

Guell, Oscar A.; Holcombe, James A.

1990-01-01

Described are analytical applications of the theory of random processes, in particular solutions obtained by using statistical procedures known as Monte Carlo techniques. Supercomputer simulations, sampling, integration, ensemble, annealing, and explicit simulation are discussed. (CW)

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.

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.

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.

CFD code evaluation for internal flow modeling

NASA Technical Reports Server (NTRS)

Chung, T. J.

1990-01-01

Research on the computational fluid dynamics (CFD) code evaluation with emphasis on supercomputing in reacting flows is discussed. Advantages of unstructured grids, multigrids, adaptive methods, improved flow solvers, vector processing, parallel processing, and reduction of memory requirements are discussed. As examples, researchers include applications of supercomputing to reacting flow Navier-Stokes equations including shock waves and turbulence and combustion instability problems associated with solid and liquid propellants. Evaluation of codes developed by other organizations are not included. Instead, the basic criteria for accuracy and efficiency have been established, and some applications on rocket combustion have been made. Research toward an ultimate goal, the most accurate and efficient CFD code, is in progress and will continue for years to come.

Statistical correlations and risk analyses techniques for a diving dual phase bubble model and data bank using massively parallel supercomputers.

PubMed

Wienke, B R; O'Leary, T R

2008-05-01

Linking model and data, we detail the LANL diving reduced gradient bubble model (RGBM), dynamical principles, and correlation with data in the LANL Data Bank. Table, profile, and meter risks are obtained from likelihood analysis and quoted for air, nitrox, helitrox no-decompression time limits, repetitive dive tables, and selected mixed gas and repetitive profiles. Application analyses include the EXPLORER decompression meter algorithm, NAUI tables, University of Wisconsin Seafood Diver tables, comparative NAUI, PADI, Oceanic NDLs and repetitive dives, comparative nitrogen and helium mixed gas risks, USS Perry deep rebreather (RB) exploration dive,world record open circuit (OC) dive, and Woodville Karst Plain Project (WKPP) extreme cave exploration profiles. The algorithm has seen extensive and utilitarian application in mixed gas diving, both in recreational and technical sectors, and forms the bases forreleased tables and decompression meters used by scientific, commercial, and research divers. The LANL Data Bank is described, and the methods used to deduce risk are detailed. Risk functions for dissolved gas and bubbles are summarized. Parameters that can be used to estimate profile risk are tallied. To fit data, a modified Levenberg-Marquardt routine is employed with L2 error norm. Appendices sketch the numerical methods, and list reports from field testing for (real) mixed gas diving. A Monte Carlo-like sampling scheme for fast numerical analysis of the data is also detailed, as a coupled variance reduction technique and additional check on the canonical approach to estimating diving risk. The method suggests alternatives to the canonical approach. This work represents a first time correlation effort linking a dynamical bubble model with deep stop data. Supercomputing resources are requisite to connect model and data in application.

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.

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.

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

WOMBAT: A Scalable and High-performance Astrophysical Magnetohydrodynamics Code

NASA Astrophysics Data System (ADS)

Mendygral, P. J.; Radcliffe, N.; Kandalla, K.; Porter, D.; O'Neill, B. J.; Nolting, C.; Edmon, P.; Donnert, J. M. F.; Jones, T. W.

2017-02-01

We present a new code for astrophysical magnetohydrodynamics specifically designed and optimized for high performance and scaling on modern and future supercomputers. We describe a novel hybrid OpenMP/MPI programming model that emerged from a collaboration between Cray, Inc. and the University of Minnesota. This design utilizes MPI-RMA optimized for thread scaling, which allows the code to run extremely efficiently at very high thread counts ideal for the latest generation of multi-core and many-core architectures. Such performance characteristics are needed in the era of “exascale” computing. We describe and demonstrate our high-performance design in detail with the intent that it may be used as a model for other, future astrophysical codes intended for applications demanding exceptional performance.

LUMA: A many-core, Fluid-Structure Interaction solver based on the Lattice-Boltzmann Method

NASA Astrophysics Data System (ADS)

Harwood, Adrian R. G.; O'Connor, Joseph; Sanchez Muñoz, Jonathan; Camps Santasmasas, Marta; Revell, Alistair J.

2018-01-01

The Lattice-Boltzmann Method at the University of Manchester (LUMA) project was commissioned to build a collaborative research environment in which researchers of all abilities can study fluid-structure interaction (FSI) problems in engineering applications from aerodynamics to medicine. It is built on the principles of accessibility, simplicity and flexibility. The LUMA software at the core of the project is a capable FSI solver with turbulence modelling and many-core scalability as well as a wealth of input/output and pre- and post-processing facilities. The software has been validated and several major releases benchmarked on supercomputing facilities internationally. The software architecture is modular and arranged logically using a minimal amount of object-orientation to maintain a simple and accessible software.

AHPCRC (Army High Performance Computing Research Center) Bulletin. Volume 1, Issue 2

DTIC Science & Technology

2011-01-01

area and the researchers working on these projects. Also inside: news from the AHPCRC consortium partners at Morgan State University and the NASA ...Computing Research Center is provided by the supercomputing and research facilities at Stanford University and at the NASA Ames Research Center at...atomic and molecular level, he said. He noted that “every general would like to have” a Star Trek -like holodeck, where holographic avatars could

Supercomputing resources empowering superstack with interactive and integrated systems

NASA Astrophysics Data System (ADS)

Rückemann, Claus-Peter

2012-09-01

This paper presents the results from the development and implementation of Superstack algorithms to be dynamically used with integrated systems and supercomputing resources. Processing of geophysical data, thus named geoprocessing, is an essential part of the analysis of geoscientific data. The theory of Superstack algorithms and the practical application on modern computing architectures was inspired by developments introduced with processing of seismic data on mainframes and within the last years leading to high end scientific computing applications. There are several stacking algorithms known but with low signal to noise ratio in seismic data the use of iterative algorithms like the Superstack can support analysis and interpretation. The new Superstack algorithms are in use with wave theory and optical phenomena on highly performant computing resources for huge data sets as well as for sophisticated application scenarios in geosciences and archaeology.

Settling the 'Score' with Heart Disease

NASA Technical Reports Server (NTRS)

2004-01-01

Technology and medicine forged a bond in 1986 when a group of dedicated NASA scientists, University of Southern California (USC) medical professors, and a Dutch cardiologist joined forces to prevent heart attacks, using ultrasound images of astronauts blood-flow patterns and the supercomputer depended upon to orchestrate the "Star Wars" Strategic Defense Initiative.

NSF Director Bloch Stresses Effectiveness and Efficiency.

ERIC Educational Resources Information Center

Lepkowski, Wil

1985-01-01

The text of an interview with Erich Bloch, National Science Foundation (NSF) director, is provided. Among the topics/issues explored are NSF's role in policy research, mission and goals of NSF, establishment of NSF Engineering Research Centers, and national security issues involving access to supercomputers in universities that NSF is funding. (JN)

Learning to Share

ERIC Educational Resources Information Center

Raths, David

2010-01-01

In the tug-of-war between researchers and IT for supercomputing resources, a centralized approach can help both sides get more bang for their buck. As 2010 began, the University of Washington was preparing to launch its first shared high-performance computing cluster, a 1,500-node system called Hyak, dedicated to research activities. Like other…

A uniform approach for programming distributed heterogeneous computing systems

PubMed Central

Grasso, Ivan; Pellegrini, Simone; Cosenza, Biagio; Fahringer, Thomas

2014-01-01

Large-scale compute clusters of heterogeneous nodes equipped with multi-core CPUs and GPUs are getting increasingly popular in the scientific community. However, such systems require a combination of different programming paradigms making application development very challenging. In this article we introduce libWater, a library-based extension of the OpenCL programming model that simplifies the development of heterogeneous distributed applications. libWater consists of a simple interface, which is a transparent abstraction of the underlying distributed architecture, offering advanced features such as inter-context and inter-node device synchronization. It provides a runtime system which tracks dependency information enforced by event synchronization to dynamically build a DAG of commands, on which we automatically apply two optimizations: collective communication pattern detection and device-host-device copy removal. We assess libWater’s performance in three compute clusters available from the Vienna Scientific Cluster, the Barcelona Supercomputing Center and the University of Innsbruck, demonstrating improved performance and scaling with different test applications and configurations. PMID:25844015

A uniform approach for programming distributed heterogeneous computing systems.

PubMed

Grasso, Ivan; Pellegrini, Simone; Cosenza, Biagio; Fahringer, Thomas

2014-12-01

Large-scale compute clusters of heterogeneous nodes equipped with multi-core CPUs and GPUs are getting increasingly popular in the scientific community. However, such systems require a combination of different programming paradigms making application development very challenging. In this article we introduce libWater, a library-based extension of the OpenCL programming model that simplifies the development of heterogeneous distributed applications. libWater consists of a simple interface, which is a transparent abstraction of the underlying distributed architecture, offering advanced features such as inter-context and inter-node device synchronization. It provides a runtime system which tracks dependency information enforced by event synchronization to dynamically build a DAG of commands, on which we automatically apply two optimizations: collective communication pattern detection and device-host-device copy removal. We assess libWater's performance in three compute clusters available from the Vienna Scientific Cluster, the Barcelona Supercomputing Center and the University of Innsbruck, demonstrating improved performance and scaling with different test applications and configurations.

Arctic Digital Elevation Models (DEMs) generated by Surface Extraction from TIN-Based Searchspace Minimization (SETSM) algorithm from RPCs-based Imagery

NASA Astrophysics Data System (ADS)

Noh, M. J.; Howat, I. M.; Porter, C. C.; Willis, M. J.; Morin, P. J.

2016-12-01

The Arctic is undergoing rapid change associated with climate warming. Digital Elevation Models (DEMs) provide critical information for change measurement and infrastructure planning in this vulnerable region, yet the existing quality and coverage of DEMs in the Arctic is poor. Low contrast and repeatedly-textured surfaces, such as snow and glacial ice and mountain shadows, all common in the Arctic, challenge existing stereo-photogrammetric techniques. Submeter resolution, stereoscopic satellite imagery with high geometric and radiometric quality, and wide spatial coverage are becoming increasingly accessible to the scientific community. To utilize these imagery for extracting DEMs at a large scale over glaciated and high latitude regions we developed the Surface Extraction from TIN-based Searchspace Minimization (SETSM) algorithm. SETSM is fully automatic (i.e. no search parameter settings are needed) and uses only the satellite rational polynomial coefficients (RPCs). Using SETSM, we have generated a large number of DEMs (> 100,000 scene pair) from WorldView, GeoEye and QuickBird stereo images collected by DigitalGlobe Inc. and archived by the Polar Geospatial Center (PGC) at the University of Minnesota through an academic licensing program maintained by the US National Geospatial-Intelligence Agency (NGA). SETSM is the primary DEM generation software for the US National Science Foundation's ArcticDEM program, with the objective of generating high resolution (2-8m) topography for the entire Arctic landmass, including seamless DEM mosaics and repeat DEM strips for change detection. ArcticDEM is collaboration between multiple US universities, governmental agencies and private companies, as well as international partners assisting with quality control and registration. ArcticDEM is being produced using the petascale Blue Waters supercomputer at the National Center for Supercomputer Applications at the University of Illinois. In this paper, we introduce the SETSM algorithm and the processing system used for the ArcticDEM project, as well as provide notable examples of ArcticDEM products.

Delivering Science on Day One

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

Williams, Timothy J.

2016-03-01

While benchmarking software is useful for testing the performance limits and stability of Argonne National Laboratory’s new Theta supercomputer, there is no substitute for running real applications to explore the system’s potential. The Argonne Leadership Computing Facility’s Theta Early Science Program, modeled after its highly successful code migration program for the Mira supercomputer, has one primary aim: to deliver science on day one. Here is a closer look at the type of science problems that will be getting early access to Theta, a next-generation machine being rolled out this year.

Towards future high performance computing: What will change? How can we be efficient?

NASA Astrophysics Data System (ADS)

Düben, Peter

2017-04-01

How can we make the most out of "exascale" supercomputers that will be available soon and enable us to calculate an amazing number of 1,000,000,000,000,000,000 real numbers operations within a single second? How do we need to design applications to use these machines efficiently? What are the limits? We will discuss opportunities and limits of the use of future high performance computers from the perspective of Earth System Modelling. We will provide an overview about future challenges and outline how numerical application will need to be changed to run efficiently on supercomputers in the future. We will also discuss how different disciplines can support each other and talk about data handling and numerical precision of data.

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.

1993 Gordon Bell Prize Winners

NASA Technical Reports Server (NTRS)

Karp, Alan H.; Simon, Horst; Heller, Don; Cooper, D. M. (Technical Monitor)

1994-01-01

The Gordon Bell Prize recognizes significant achievements in the application of supercomputers to scientific and engineering problems. In 1993, finalists were named for work in three categories: (1) Performance, which recognizes those who solved a real problem in the quickest elapsed time. (2) Price/performance, which encourages the development of cost-effective supercomputing. (3) Compiler-generated speedup, which measures how well compiler writers are facilitating the programming of parallel processors. The winners were announced November 17 at the Supercomputing 93 conference in Portland, Oregon. Gordon Bell, an independent consultant in Los Altos, California, is sponsoring $2,000 in prizes each year for 10 years to promote practical parallel processing research. This is the sixth year of the prize, which Computer administers. Something unprecedented in Gordon Bell Prize competition occurred this year: A computer manufacturer was singled out for recognition. Nine entries reporting results obtained on the Cray C90 were received, seven of the submissions orchestrated by Cray Research. Although none of these entries showed sufficiently high performance to win outright, the judges were impressed by the breadth of applications that ran well on this machine, all nine running at more than a third of the peak performance of the machine.

State University of New York Institute of Technology (SUNYIT) Summer Scholar Program

DTIC Science & Technology

2009-10-01

COVERED (From - To) March 2007 – April 2009 4 . TITLE AND SUBTITLE STATE UNIVERSITY OF NEW YORK INSTITUTE OF TECHNOLOGY (SUNYIT) SUMMER SCHOLAR...Even with access to the Arctic Regional Supercomputer Center (ARSC), evolving a 9/7 wavelet with four multi-resolution levels (MRA 4 ) involves...evaluated over the multiple processing elements in the Cell processor. It was tested on Cell processors in a Sony Playstation 3 and on an IBM QS20 blade

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.

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

Meneses, Esteban; Ni, Xiang; Jones, Terry R

The unprecedented computational power of cur- rent supercomputers now makes possible the exploration of complex problems in many scientific fields, from genomic analysis to computational fluid dynamics. Modern machines are powerful because they are massive: they assemble millions of cores and a huge quantity of disks, cards, routers, and other components. But it is precisely the size of these machines that glooms the future of supercomputing. A system that comprises many components has a high chance to fail, and fail often. In order to make the next generation of supercomputers usable, it is imperative to use some type of faultmore » tolerance platform to run applications on large machines. Most fault tolerance strategies can be optimized for the peculiarities of each system and boost efficacy by keeping the system productive. In this paper, we aim to understand how failure characterization can improve resilience in several layers of the software stack: applications, runtime systems, and job schedulers. We examine the Titan supercomputer, one of the fastest systems in the world. We analyze a full year of Titan in production and distill the failure patterns of the machine. By looking into Titan s log files and using the criteria of experts, we provide a detailed description of the types of failures. In addition, we inspect the job submission files and describe how the system is used. Using those two sources, we cross correlate failures in the machine to executing jobs and provide a picture of how failures affect the user experience. We believe such characterization is fundamental in developing appropriate fault tolerance solutions for Cray systems similar to Titan.« less

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

None

Inspired by human forgetfulness – how our brains discard unnecessary data to make room for new information – scientists at the U.S. Department of Energy’s (DOE) Argonne National Laboratory, in collaboration with Brookhaven National Laboratory and three universities, conducted a recent study that combined supercomputer simulation and X-ray characterization of a material that gradually “forgets.”

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.

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.

A highly scalable particle tracking algorithm using partitioned global address space (PGAS) programming for extreme-scale turbulence simulations

NASA Astrophysics Data System (ADS)

Buaria, D.; Yeung, P. K.

2017-12-01

A new parallel algorithm utilizing a partitioned global address space (PGAS) programming model to achieve high scalability is reported for particle tracking in direct numerical simulations of turbulent fluid flow. The work is motivated by the desire to obtain Lagrangian information necessary for the study of turbulent dispersion at the largest problem sizes feasible on current and next-generation multi-petaflop supercomputers. A large population of fluid particles is distributed among parallel processes dynamically, based on instantaneous particle positions such that all of the interpolation information needed for each particle is available either locally on its host process or neighboring processes holding adjacent sub-domains of the velocity field. With cubic splines as the preferred interpolation method, the new algorithm is designed to minimize the need for communication, by transferring between adjacent processes only those spline coefficients determined to be necessary for specific particles. This transfer is implemented very efficiently as a one-sided communication, using Co-Array Fortran (CAF) features which facilitate small data movements between different local partitions of a large global array. The cost of monitoring transfer of particle properties between adjacent processes for particles migrating across sub-domain boundaries is found to be small. Detailed benchmarks are obtained on the Cray petascale supercomputer Blue Waters at the University of Illinois, Urbana-Champaign. For operations on the particles in a 81923 simulation (0.55 trillion grid points) on 262,144 Cray XE6 cores, the new algorithm is found to be orders of magnitude faster relative to a prior algorithm in which each particle is tracked by the same parallel process at all times. This large speedup reduces the additional cost of tracking of order 300 million particles to just over 50% of the cost of computing the Eulerian velocity field at this scale. Improving support of PGAS models on major compilers suggests that this algorithm will be of wider applicability on most upcoming supercomputers.

NAS Applications and Advanced Algorithms

NASA Technical Reports Server (NTRS)

Bailey, David H.; Biswas, Rupak; VanDerWijngaart, Rob; Kutler, Paul (Technical Monitor)

1997-01-01

This paper examines the applications most commonly run on the supercomputers at the Numerical Aerospace Simulation (NAS) facility. It analyzes the extent to which such applications are fundamentally oriented to vector computers, and whether or not they can be efficiently implemented on hierarchical memory machines, such as systems with cache memories and highly parallel, distributed memory systems.

Opportunities for leveraging OS virtualization in high-end supercomputing.

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

Bridges, Patrick G.; Pedretti, Kevin Thomas Tauke

2010-11-01

This paper examines potential motivations for incorporating virtualization support in the system software stacks of high-end capability supercomputers. We advocate that this will increase the flexibility of these platforms significantly and enable new capabilities that are not possible with current fixed software stacks. Our results indicate that compute, virtual memory, and I/O virtualization overheads are low and can be further mitigated by utilizing well-known techniques such as large paging and VMM bypass. Furthermore, since the addition of virtualization support does not affect the performance of applications using the traditional native environment, there is essentially no disadvantage to its addition.

WOMBAT: A Scalable and High-performance Astrophysical Magnetohydrodynamics Code

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

Mendygral, P. J.; Radcliffe, N.; Kandalla, K.

2017-02-01

We present a new code for astrophysical magnetohydrodynamics specifically designed and optimized for high performance and scaling on modern and future supercomputers. We describe a novel hybrid OpenMP/MPI programming model that emerged from a collaboration between Cray, Inc. and the University of Minnesota. This design utilizes MPI-RMA optimized for thread scaling, which allows the code to run extremely efficiently at very high thread counts ideal for the latest generation of multi-core and many-core architectures. Such performance characteristics are needed in the era of “exascale” computing. We describe and demonstrate our high-performance design in detail with the intent that it maymore » be used as a model for other, future astrophysical codes intended for applications demanding exceptional performance.« less

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

Bai, Zhaojun; Scalettar, Richard; Savrasov, Sergey

This report summarizes the accomplishments of the University of California Davis team which is part of a larger SciDAC collaboration including Mark Jarrell of Louisiana State University, Karen Tomko of the Ohio Supercomputer Center, and Eduardo F. D'Azevedo and Thomas A. Maier of Oak Ridge National Laboratory. In this report, we focus on the major UCD accomplishments. As the paper authorship list emphasizes, much of our work is the result of a tightly integrated effort; hence this compendium of UCD efforts of necessity contains some overlap with the work at our partner institutions.

Some Problems and Solutions in Transferring Ecosystem Simulation Codes to Supercomputers

NASA Technical Reports Server (NTRS)

Skiles, J. W.; Schulbach, C. H.

1994-01-01

Many computer codes for the simulation of ecological systems have been developed in the last twenty-five years. This development took place initially on main-frame computers, then mini-computers, and more recently, on micro-computers and workstations. Recent recognition of ecosystem science as a High Performance Computing and Communications Program Grand Challenge area emphasizes supercomputers (both parallel and distributed systems) as the next set of tools for ecological simulation. Transferring ecosystem simulation codes to such systems is not a matter of simply compiling and executing existing code on the supercomputer since there are significant differences in the system architectures of sequential, scalar computers and parallel and/or vector supercomputers. To more appropriately match the application to the architecture (necessary to achieve reasonable performance), the parallelism (if it exists) of the original application must be exploited. We discuss our work in transferring a general grassland simulation model (developed on a VAX in the FORTRAN computer programming language) to a Cray Y-MP. We show the Cray shared-memory vector-architecture, and discuss our rationale for selecting the Cray. We describe porting the model to the Cray and executing and verifying a baseline version, and we discuss the changes we made to exploit the parallelism in the application and to improve code execution. As a result, the Cray executed the model 30 times faster than the VAX 11/785 and 10 times faster than a Sun 4 workstation. We achieved an additional speed-up of approximately 30 percent over the original Cray run by using the compiler's vectorizing capabilities and the machine's ability to put subroutines and functions "in-line" in the code. With the modifications, the code still runs at only about 5% of the Cray's peak speed because it makes ineffective use of the vector processing capabilities of the Cray. We conclude with a discussion and future plans.

HACC: Simulating sky surveys on state-of-the-art supercomputing architectures

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

Habib, Salman; Pope, Adrian; Finkel, Hal

2016-01-01

Current and future surveys of large-scale cosmic structure are associated with a massive and complex datastream to study, characterize, and ultimately understand the physics behind the two major components of the ‘Dark Universe’, dark energy and dark matter. In addition, the surveys also probe primordial perturbations and carry out fundamental measurements, such as determining the sum of neutrino masses. Large-scale simulations of structure formation in the Universe play a critical role in the interpretation of the data and extraction of the physics of interest. Just as survey instruments continue to grow in size and complexity, so do the supercomputers thatmore » enable these simulations. Here we report on HACC (Hardware/Hybrid Accelerated Cosmology Code), a recently developed and evolving cosmology N-body code framework, designed to run efficiently on diverse computing architectures and to scale to millions of cores and beyond. HACC can run on all current supercomputer architectures and supports a variety of programming models and algorithms. It has been demonstrated at scale on Cell- and GPU-accelerated systems, standard multi-core node clusters, and Blue Gene systems. HACC’s design allows for ease of portability, and at the same time, high levels of sustained performance on the fastest supercomputers available. We present a description of the design philosophy of HACC, the underlying algorithms and code structure, and outline implementation details for several specific architectures. We show selected accuracy and performance results from some of the largest high resolution cosmological simulations so far performed, including benchmarks evolving more than 3.6 trillion particles.« less

[Construction and application of bioinformatic analysis platform for aquatic pathogen based on the MilkyWay-2 supercomputer].

PubMed

Fang, Xiang; Li, Ning-qiu; Fu, Xiao-zhe; Li, Kai-bin; Lin, Qiang; Liu, Li-hui; Shi, Cun-bin; Wu, Shu-qin

2015-07-01

As a key component of life science, bioinformatics has been widely applied in genomics, transcriptomics, and proteomics. However, the requirement of high-performance computers rather than common personal computers for constructing a bioinformatics platform significantly limited the application of bioinformatics in aquatic science. In this study, we constructed a bioinformatic analysis platform for aquatic pathogen based on the MilkyWay-2 supercomputer. The platform consisted of three functional modules, including genomic and transcriptomic sequencing data analysis, protein structure prediction, and molecular dynamics simulations. To validate the practicability of the platform, we performed bioinformatic analysis on aquatic pathogenic organisms. For example, genes of Flavobacterium johnsoniae M168 were identified and annotated via Blast searches, GO and InterPro annotations. Protein structural models for five small segments of grass carp reovirus HZ-08 were constructed by homology modeling. Molecular dynamics simulations were performed on out membrane protein A of Aeromonas hydrophila, and the changes of system temperature, total energy, root mean square deviation and conformation of the loops during equilibration were also observed. These results showed that the bioinformatic analysis platform for aquatic pathogen has been successfully built on the MilkyWay-2 supercomputer. This study will provide insights into the construction of bioinformatic analysis platform for other subjects.

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.

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.

Accessing and visualizing scientific spatiotemporal data

NASA Technical Reports Server (NTRS)

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

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

The role of graphics super-workstations in a supercomputing environment

NASA Technical Reports Server (NTRS)

Levin, E.

1989-01-01

A new class of very powerful workstations has recently become available which integrate near supercomputer computational performance with very powerful and high quality graphics capability. These graphics super-workstations are expected to play an increasingly important role in providing an enhanced environment for supercomputer users. Their potential uses include: off-loading the supercomputer (by serving as stand-alone processors, by post-processing of the output of supercomputer calculations, and by distributed or shared processing), scientific visualization (understanding of results, communication of results), and by real time interaction with the supercomputer (to steer an iterative computation, to abort a bad run, or to explore and develop new algorithms).

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...

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.

What is the Universe made of?

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

Paris, Mark

A team of physicists and astrophysicists at Los Alamos National Laboratory, in collaboration with leading universities around the country, are using the Laboratory’s supercomputers to simulate the Big Bang nucleosynthesis and the early universe to unprecedented precision. These researchers developed a code, called BURST that describes the universe from a time of a few seconds after the Big Bang to several hundred thousand years later. BURST allows physicists to study the microscopic, quantum nature of fundamental particles — like nuclei and the ghostly, weakly interacting neutrinos — by simulating the universe at its largest, cosmological scale. BURST simultaneously describes allmore » the particles present in the early universe as they develop, tracking their evolution, particularly the amounts of light nuclei fused in the cosmic soup.« less

Hypercube technology

NASA Technical Reports Server (NTRS)

Parker, Jay W.; Cwik, Tom; Ferraro, Robert D.; Liewer, Paulett C.; Patterson, Jean E.

1991-01-01

The JPL designed MARKIII hypercube supercomputer has been in application service since June 1988 and has had successful application to a broad problem set including electromagnetic scattering, discrete event simulation, plasma transport, matrix algorithms, neural network simulation, image processing, and graphics. Currently, problems that are not homogeneous are being attempted, and, through this involvement with real world applications, the software is evolving to handle the heterogeneous class problems efficiently.

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

Compression behavior and spectroscopic properties of insensitive explosive 1,3,5-triamino-2,4,6-trinitrobenzene from dispersion-corrected density functional theory

NASA Astrophysics Data System (ADS)

Su, Yan; Fan, Junyu; Zheng, Zhaoyang; Zhao, Jijun; Song, Huajie

2018-05-01

Not Available Project supported by the Science Challenge Project of China (Grant No. TZ2016001), the National Natural Science Foundation of China (Grant Nos. 11674046 and 11372053), the Fundamental Research Funds for the Central Universities of China (Grant No. DUT17GF203), the Opening Project of State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, China (Grant No. KFJJ16-01M), and the Supercomputing Center of Dalian University of Technology, China.

Iowa State University – Final Report for SciDAC3/NUCLEI

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

Vary, James P

The Iowa State University (ISU) contributions to the NUCLEI project are focused on developing, implementing and running an efficient and scalable configuration interaction code (Many-Fermion Dynamics – nuclear or MFDn) for leadership class supercomputers addressing forefront research problems in low-energy nuclear physics. We investigate nuclear structure and reactions with realistic nucleon-nucleon (NN) and three-nucleon (3N) interactions. We select a few highlights from our work that has produced a total of more than 82 refereed publications and more than 109 invited talks under SciDAC3/NUCLEI.

Edison - A New Cray Supercomputer Advances Discovery at NERSC

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

Dosanjh, Sudip; Parkinson, Dula; Yelick, Kathy

2014-02-06

When a supercomputing center installs a new system, users are invited to make heavy use of the computer as part of the rigorous testing. In this video, find out what top scientists have discovered using Edison, a Cray XC30 supercomputer, and how NERSC's newest supercomputer will accelerate their future research.

Edison - A New Cray Supercomputer Advances Discovery at NERSC

ScienceCinema

Dosanjh, Sudip; Parkinson, Dula; Yelick, Kathy; Trebotich, David; Broughton, Jeff; Antypas, Katie; Lukic, Zarija, Borrill, Julian; Draney, Brent; Chen, Jackie

2018-01-16

When a supercomputing center installs a new system, users are invited to make heavy use of the computer as part of the rigorous testing. In this video, find out what top scientists have discovered using Edison, a Cray XC30 supercomputer, and how NERSC's newest supercomputer will accelerate their future research.

Integrating the Apache Big Data Stack with HPC for Big Data

NASA Astrophysics Data System (ADS)

Fox, G. C.; Qiu, J.; Jha, S.

2014-12-01

There is perhaps a broad consensus as to important issues in practical parallel computing as applied to large scale simulations; this is reflected in supercomputer architectures, algorithms, libraries, languages, compilers and best practice for application development. However, the same is not so true for data intensive computing, even though commercially clouds devote much more resources to data analytics than supercomputers devote to simulations. We look at a sample of over 50 big data applications to identify characteristics of data intensive applications and to deduce needed runtime and architectures. We suggest a big data version of the famous Berkeley dwarfs and NAS parallel benchmarks and use these to identify a few key classes of hardware/software architectures. Our analysis builds on combining HPC and ABDS the Apache big data software stack that is well used in modern cloud computing. Initial results on clouds and HPC systems are encouraging. We propose the development of SPIDAL - Scalable Parallel Interoperable Data Analytics Library -- built on system aand data abstractions suggested by the HPC-ABDS architecture. We discuss how it can be used in several application areas including Polar Science.

The PMS project: Poor man's supercomputer

NASA Astrophysics Data System (ADS)

Csikor, F.; Fodor, Z.; Hegedüs, P.; Horváth, V. K.; Katz, S. D.; Piróth, A.

2001-02-01

We briefly describe the Poor Man's Supercomputer (PMS) project carried out at Eötvös University, Budapest. The goal was to construct a cost effective, scalable, fast parallel computer to perform numerical calculations of physical problems that can be implemented on a lattice with nearest neighbour interactions. To this end we developed the PMS architecture using PC components and designed a special, low cost communication hardware and the driver software for Linux OS. Our first implementation of PMS includes 32 nodes (PMS1). The performance of PMS1 was tested by Lattice Gauge Theory simulations. Using pure SU(3) gauge theory or the bosonic part of the minimal supersymmetric extention of the standard model (MSSM) on PMS1 we obtained 3 / Mflops and 0.60 / Mflops price-to-sustained performance ratio for double and single precision operations, respectively. The design of the special hardware and the communication driver are freely available upon request for non-profit organizations.

Impact of the Columbia Supercomputer on NASA Space and Exploration Mission

NASA Technical Reports Server (NTRS)

Biswas, Rupak; Kwak, Dochan; Kiris, Cetin; Lawrence, Scott

2006-01-01

NASA's 10,240-processor Columbia supercomputer gained worldwide recognition in 2004 for increasing the space agency's computing capability ten-fold, and enabling U.S. scientists and engineers to perform significant, breakthrough simulations. Columbia has amply demonstrated its capability to accelerate NASA's key missions, including space operations, exploration systems, science, and aeronautics. Columbia is part of an integrated high-end computing (HEC) environment comprised of massive storage and archive systems, high-speed networking, high-fidelity modeling and simulation tools, application performance optimization, and advanced data analysis and visualization. In this paper, we illustrate the impact Columbia is having on NASA's numerous space and exploration applications, such as the development of the Crew Exploration and Launch Vehicles (CEV/CLV), effects of long-duration human presence in space, and damage assessment and repair recommendations for remaining shuttle flights. We conclude by discussing HEC challenges that must be overcome to solve space-related science problems in the future.

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

Optimizing high performance computing workflow for protein functional annotation.

PubMed

Stanberry, Larissa; Rekepalli, Bhanu; Liu, Yuan; Giblock, Paul; Higdon, Roger; Montague, Elizabeth; Broomall, William; Kolker, Natali; Kolker, Eugene

2014-09-10

Functional annotation of newly sequenced genomes is one of the major challenges in modern biology. With modern sequencing technologies, the protein sequence universe is rapidly expanding. Newly sequenced bacterial genomes alone contain over 7.5 million proteins. The rate of data generation has far surpassed that of protein annotation. The volume of protein data makes manual curation infeasible, whereas a high compute cost limits the utility of existing automated approaches. In this work, we present an improved and optmized automated workflow to enable large-scale protein annotation. The workflow uses high performance computing architectures and a low complexity classification algorithm to assign proteins into existing clusters of orthologous groups of proteins. On the basis of the Position-Specific Iterative Basic Local Alignment Search Tool the algorithm ensures at least 80% specificity and sensitivity of the resulting classifications. The workflow utilizes highly scalable parallel applications for classification and sequence alignment. Using Extreme Science and Engineering Discovery Environment supercomputers, the workflow processed 1,200,000 newly sequenced bacterial proteins. With the rapid expansion of the protein sequence universe, the proposed workflow will enable scientists to annotate big genome data.

Optimizing high performance computing workflow for protein functional annotation

PubMed Central

Stanberry, Larissa; Rekepalli, Bhanu; Liu, Yuan; Giblock, Paul; Higdon, Roger; Montague, Elizabeth; Broomall, William; Kolker, Natali; Kolker, Eugene

2014-01-01

Functional annotation of newly sequenced genomes is one of the major challenges in modern biology. With modern sequencing technologies, the protein sequence universe is rapidly expanding. Newly sequenced bacterial genomes alone contain over 7.5 million proteins. The rate of data generation has far surpassed that of protein annotation. The volume of protein data makes manual curation infeasible, whereas a high compute cost limits the utility of existing automated approaches. In this work, we present an improved and optmized automated workflow to enable large-scale protein annotation. The workflow uses high performance computing architectures and a low complexity classification algorithm to assign proteins into existing clusters of orthologous groups of proteins. On the basis of the Position-Specific Iterative Basic Local Alignment Search Tool the algorithm ensures at least 80% specificity and sensitivity of the resulting classifications. The workflow utilizes highly scalable parallel applications for classification and sequence alignment. Using Extreme Science and Engineering Discovery Environment supercomputers, the workflow processed 1,200,000 newly sequenced bacterial proteins. With the rapid expansion of the protein sequence universe, the proposed workflow will enable scientists to annotate big genome data. PMID:25313296

Topical perspective on massive threading and parallelism.

PubMed

Farber, Robert M

2011-09-01

Unquestionably computer architectures have undergone a recent and noteworthy paradigm shift that now delivers multi- and many-core systems with tens to many thousands of concurrent hardware processing elements per workstation or supercomputer node. GPGPU (General Purpose Graphics Processor Unit) technology in particular has attracted significant attention as new software development capabilities, namely CUDA (Compute Unified Device Architecture) and OpenCL™, have made it possible for students as well as small and large research organizations to achieve excellent speedup for many applications over more conventional computing architectures. The current scientific literature reflects this shift with numerous examples of GPGPU applications that have achieved one, two, and in some special cases, three-orders of magnitude increased computational performance through the use of massive threading to exploit parallelism. Multi-core architectures are also evolving quickly to exploit both massive-threading and massive-parallelism such as the 1.3 million threads Blue Waters supercomputer. The challenge confronting scientists in planning future experimental and theoretical research efforts--be they individual efforts with one computer or collaborative efforts proposing to use the largest supercomputers in the world is how to capitalize on these new massively threaded computational architectures--especially as not all computational problems will scale to massive parallelism. In particular, the costs associated with restructuring software (and potentially redesigning algorithms) to exploit the parallelism of these multi- and many-threaded machines must be considered along with application scalability and lifespan. This perspective is an overview of the current state of threading and parallelize with some insight into the future. Published by Elsevier Inc.

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. ...

High performance computing applications in neurobiological research

NASA Technical Reports Server (NTRS)

Ross, Muriel D.; Cheng, Rei; Doshay, David G.; Linton, Samuel W.; Montgomery, Kevin; Parnas, Bruce R.

1994-01-01

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

Multi-petascale highly efficient parallel supercomputer

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

Asaad, Sameh; Bellofatto, Ralph E.; Blocksome, Michael A.

A Multi-Petascale Highly Efficient Parallel Supercomputer of 100 petaflop-scale includes node architectures based upon System-On-a-Chip technology, where each processing node comprises a single Application Specific Integrated Circuit (ASIC). The ASIC nodes are interconnected by a five dimensional torus network that optimally maximize the throughput of packet communications between nodes and minimize latency. The network implements collective network and a global asynchronous network that provides global barrier and notification functions. Integrated in the node design include a list-based prefetcher. The memory system implements transaction memory, thread level speculation, and multiversioning cache that improves soft error rate at the same time andmore » supports DMA functionality allowing for parallel processing message-passing.« less

Internal computational fluid mechanics on supercomputers for aerospace propulsion systems

NASA Technical Reports Server (NTRS)

Andersen, Bernhard H.; Benson, Thomas J.

1987-01-01

The accurate calculation of three-dimensional internal flowfields for application towards aerospace propulsion systems requires computational resources available only on supercomputers. A survey is presented of three-dimensional calculations of hypersonic, transonic, and subsonic internal flowfields conducted at the Lewis Research Center. A steady state Parabolized Navier-Stokes (PNS) solution of flow in a Mach 5.0, mixed compression inlet, a Navier-Stokes solution of flow in the vicinity of a terminal shock, and a PNS solution of flow in a diffusing S-bend with vortex generators are presented and discussed. All of these calculations were performed on either the NAS Cray-2 or the Lewis Research Center Cray XMP.

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.

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

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.

Challenges in scaling NLO generators to leadership computers

NASA Astrophysics Data System (ADS)

Benjamin, D.; Childers, JT; Hoeche, S.; LeCompte, T.; Uram, T.

2017-10-01

Exascale computing resources are roughly a decade away and will be capable of 100 times more computing than current supercomputers. In the last year, Energy Frontier experiments crossed a milestone of 100 million core-hours used at the Argonne Leadership Computing Facility, Oak Ridge Leadership Computing Facility, and NERSC. The Fortran-based leading-order parton generator called Alpgen was successfully scaled to millions of threads to achieve this level of usage on Mira. Sherpa and MadGraph are next-to-leading order generators used heavily by LHC experiments for simulation. Integration times for high-multiplicity or rare processes can take a week or more on standard Grid machines, even using all 16-cores. We will describe our ongoing work to scale the Sherpa generator to thousands of threads on leadership-class machines and reduce run-times to less than a day. This work allows the experiments to leverage large-scale parallel supercomputers for event generation today, freeing tens of millions of grid hours for other work, and paving the way for future applications (simulation, reconstruction) on these and future supercomputers.

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

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.

Performance and Scalability of the NAS Parallel Benchmarks in Java

NASA Technical Reports Server (NTRS)

Frumkin, Michael A.; Schultz, Matthew; Jin, Haoqiang; Yan, Jerry; Biegel, Bryan A. (Technical Monitor)

2002-01-01

Several features make Java an attractive choice for scientific applications. In order to gauge the applicability of Java to Computational Fluid Dynamics (CFD), we have implemented the NAS (NASA Advanced Supercomputing) Parallel Benchmarks in Java. The performance and scalability of the benchmarks point out the areas where improvement in Java compiler technology and in Java thread implementation would position Java closer to Fortran in the competition for scientific applications.

IonGAP: integrative bacterial genome analysis for Ion Torrent sequence data.

PubMed

Baez-Ortega, Adrian; Lorenzo-Diaz, Fabian; Hernandez, Mariano; Gonzalez-Vila, Carlos Ignacio; Roda-Garcia, Jose Luis; Colebrook, Marcos; Flores, Carlos

2015-09-01

We introduce IonGAP, a publicly available Web platform designed for the analysis of whole bacterial genomes using Ion Torrent sequence data. Besides assembly, it integrates a variety of comparative genomics, annotation and bacterial classification routines, based on the widely used FASTQ, BAM and SRA file formats. Benchmarking with different datasets evidenced that IonGAP is a fast, powerful and simple-to-use bioinformatics tool. By releasing this platform, we aim to translate low-cost bacterial genome analysis for microbiological prevention and control in healthcare, agroalimentary and pharmaceutical industry applications. IonGAP is hosted by the ITER's Teide-HPC supercomputer and is freely available on the Web for non-commercial use at http://iongap.hpc.iter.es. mcolesan@ull.edu.es or cflores@ull.edu.es Supplementary data are available at Bioinformatics online. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

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.

Using Queue Time Predictions for Processor Allocation

DTIC Science & Technology

1997-01-01

Diego Supercomputer Center, 1996. 19 [15] Vijay K. Naik, Sanjeev K. Setia , and Mark S. Squillante. Performance analysis of job schedul- ing policies in...Processing, pages 101{111, 1995. [19] Sanjeev K. Setia and Satish K. Tripathi. An analysis of several processor partitioning policies for parallel...computers. Technical Report CS-TR-2684, University of Maryland, May 1991. [20] Sanjeev K. Setia and Satish K. Tripathi. A comparative analysis of static

Fast I/O for Massively Parallel Applications

NASA Technical Reports Server (NTRS)

OKeefe, Matthew T.

1996-01-01

The two primary goals for this report were the design, contruction and modeling of parallel disk arrays for scientific visualization and animation, and a study of the IO requirements of highly parallel applications. In addition, further work in parallel display systems required to project and animate the very high-resolution frames resulting from our supercomputing simulations in ocean circulation and compressible gas dynamics.

Overview 1993: Computational applications

NASA Technical Reports Server (NTRS)

Benek, John A.

1993-01-01

Computational applications include projects that apply or develop computationally intensive computer programs. Such programs typically require supercomputers to obtain solutions in a timely fashion. This report describes two CSTAR projects involving Computational Fluid Dynamics (CFD) technology. The first, the Parallel Processing Initiative, is a joint development effort and the second, the Chimera Technology Development, is a transfer of government developed technology to American industry.

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)

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

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

Interactive 3D visualization speeds well, reservoir planning

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

Petzet, G.A.

1997-11-24

Texaco Exploration and Production has begun making expeditious analyses and drilling decisions that result from interactive, large screen visualization of seismic and other three dimensional data. A pumpkin shaped room or pod inside a 3,500 sq ft, state-of-the-art facility in Southwest Houston houses a supercomputer and projection equipment Texaco said will help its people sharply reduce 3D seismic project cycle time, boost production from existing fields, and find more reserves. Oil and gas related applications of the visualization center include reservoir engineering, plant walkthrough simulation for facilities/piping design, and new field exploration. The center houses a Silicon Graphics Onyx2 infinitemore » reality supercomputer configured with 8 processors, 3 graphics pipelines, and 6 gigabytes of main memory.« less

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.

Computational Approaches to Simulation and Optimization of Global Aircraft Trajectories

NASA Technical Reports Server (NTRS)

Ng, Hok Kwan; Sridhar, Banavar

2016-01-01

This study examines three possible approaches to improving the speed in generating wind-optimal routes for air traffic at the national or global level. They are: (a) using the resources of a supercomputer, (b) running the computations on multiple commercially available computers and (c) implementing those same algorithms into NASAs Future ATM Concepts Evaluation Tool (FACET) and compares those to a standard implementation run on a single CPU. Wind-optimal aircraft trajectories are computed using global air traffic schedules. The run time and wait time on the supercomputer for trajectory optimization using various numbers of CPUs ranging from 80 to 10,240 units are compared with the total computational time for running the same computation on a single desktop computer and on multiple commercially available computers for potential computational enhancement through parallel processing on the computer clusters. This study also re-implements the trajectory optimization algorithm for further reduction of computational time through algorithm modifications and integrates that with FACET to facilitate the use of the new features which calculate time-optimal routes between worldwide airport pairs in a wind field for use with existing FACET applications. The implementations of trajectory optimization algorithms use MATLAB, Python, and Java programming languages. The performance evaluations are done by comparing their computational efficiencies and based on the potential application of optimized trajectories. The paper shows that in the absence of special privileges on a supercomputer, a cluster of commercially available computers provides a feasible approach for national and global air traffic system studies.

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.

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.

A 500 megabyte/second disk array

NASA Technical Reports Server (NTRS)

Ruwart, Thomas M.; Okeefe, Matthew T.

1994-01-01

Applications at the Army High Performance Computing Research Center's (AHPCRC) Graphic and Visualization Laboratory (GVL) at the University of Minnesota require a tremendous amount of I/O bandwidth and this appetite for data is growing. Silicon Graphics workstations are used to perform the post-processing, visualization, and animation of multi-terabyte size datasets produced by scientific simulations performed of AHPCRC supercomputers. The M.A.X. (Maximum Achievable Xfer) was designed to find the maximum achievable I/O performance of the Silicon Graphics CHALLENGE/Onyx-class machines that run these applications. Running a fully configured Onyx machine with 12-150MHz R4400 processors, 512MB of 8-way interleaved memory, 31 fast/wide SCSI-2 channel each with a Ciprico disk array controller we were able to achieve a maximum sustained transfer rate of 509.8 megabytes per second. However, after analyzing the results it became clear that the true maximum transfer rate is somewhat beyond this figure and we will need to do further testing with more disk array controllers in order to find the true maximum.

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.

The Computer Simulation of Liquids by Molecular Dynamics.

ERIC Educational Resources Information Center

Smith, W.

1987-01-01

Proposes a mathematical computer model for the behavior of liquids using the classical dynamic principles of Sir Isaac Newton and the molecular dynamics method invented by other scientists. Concludes that other applications will be successful using supercomputers to go beyond simple Newtonian physics. (CW)

HACC: Extreme Scaling and Performance Across Diverse Architectures

NASA Astrophysics Data System (ADS)

Habib, Salman; Morozov, Vitali; Frontiere, Nicholas; Finkel, Hal; Pope, Adrian; Heitmann, Katrin

2013-11-01

Supercomputing is evolving towards hybrid and accelerator-based architectures with millions of cores. The HACC (Hardware/Hybrid Accelerated Cosmology Code) framework exploits this diverse landscape at the largest scales of problem size, obtaining high scalability and sustained performance. Developed to satisfy the science requirements of cosmological surveys, HACC melds particle and grid methods using a novel algorithmic structure that flexibly maps across architectures, including CPU/GPU, multi/many-core, and Blue Gene systems. We demonstrate the success of HACC on two very different machines, the CPU/GPU system Titan and the BG/Q systems Sequoia and Mira, attaining unprecedented levels of scalable performance. We demonstrate strong and weak scaling on Titan, obtaining up to 99.2% parallel efficiency, evolving 1.1 trillion particles. On Sequoia, we reach 13.94 PFlops (69.2% of peak) and 90% parallel efficiency on 1,572,864 cores, with 3.6 trillion particles, the largest cosmological benchmark yet performed. HACC design concepts are applicable to several other supercomputer applications.

Network issues for large mass storage requirements

NASA Technical Reports Server (NTRS)

Perdue, James

1992-01-01

File Servers and Supercomputing environments need high performance networks to balance the I/O requirements seen in today's demanding computing scenarios. UltraNet is one solution which permits both high aggregate transfer rates and high task-to-task transfer rates as demonstrated in actual tests. UltraNet provides this capability as both a Server-to-Server and Server-to-Client access network giving the supercomputing center the following advantages highest performance Transport Level connections (to 40 MBytes/sec effective rates); matches the throughput of the emerging high performance disk technologies, such as RAID, parallel head transfer devices and software striping; supports standard network and file system applications using SOCKET's based application program interface such as FTP, rcp, rdump, etc.; supports access to the Network File System (NFS) and LARGE aggregate bandwidth for large NFS usage; provides access to a distributed, hierarchical data server capability using DISCOS UniTree product; supports file server solutions available from multiple vendors, including Cray, Convex, Alliant, FPS, IBM, and others.

Computational complexity of the landscape II-Cosmological considerations

NASA Astrophysics Data System (ADS)

Denef, Frederik; Douglas, Michael R.; Greene, Brian; Zukowski, Claire

2018-05-01

We propose a new approach for multiverse analysis based on computational complexity, which leads to a new family of "computational" measure factors. By defining a cosmology as a space-time containing a vacuum with specified properties (for example small cosmological constant) together with rules for how time evolution will produce the vacuum, we can associate global time in a multiverse with clock time on a supercomputer which simulates it. We argue for a principle of "limited computational complexity" governing early universe dynamics as simulated by this supercomputer, which translates to a global measure for regulating the infinities of eternal inflation. The rules for time evolution can be thought of as a search algorithm, whose details should be constrained by a stronger principle of "minimal computational complexity". Unlike previously studied global measures, ours avoids standard equilibrium considerations and the well-known problems of Boltzmann Brains and the youngness paradox. We also give various definitions of the computational complexity of a cosmology, and argue that there are only a few natural complexity classes.

Web-based system for surgical planning and simulation

NASA Astrophysics Data System (ADS)

Eldeib, Ayman M.; Ahmed, Mohamed N.; Farag, Aly A.; Sites, C. B.

1998-10-01

The growing scientific knowledge and rapid progress in medical imaging techniques has led to an increasing demand for better and more efficient methods of remote access to high-performance computer facilities. This paper introduces a web-based telemedicine project that provides interactive tools for surgical simulation and planning. The presented approach makes use of client-server architecture based on new internet technology where clients use an ordinary web browser to view, send, receive and manipulate patients' medical records while the server uses the supercomputer facility to generate online semi-automatic segmentation, 3D visualization, surgical simulation/planning and neuroendoscopic procedures navigation. The supercomputer (SGI ONYX 1000) is located at the Computer Vision and Image Processing Lab, University of Louisville, Kentucky. This system is under development in cooperation with the Department of Neurological Surgery, Alliant Health Systems, Louisville, Kentucky. The server is connected via a network to the Picture Archiving and Communication System at Alliant Health Systems through a DICOM standard interface that enables authorized clients to access patients' images from different medical modalities.

SiGN-SSM: open source parallel software for estimating gene networks with state space models.

PubMed

Tamada, Yoshinori; Yamaguchi, Rui; Imoto, Seiya; Hirose, Osamu; Yoshida, Ryo; Nagasaki, Masao; Miyano, Satoru

2011-04-15

SiGN-SSM is an open-source gene network estimation software able to run in parallel on PCs and massively parallel supercomputers. The software estimates a state space model (SSM), that is a statistical dynamic model suitable for analyzing short time and/or replicated time series gene expression profiles. SiGN-SSM implements a novel parameter constraint effective to stabilize the estimated models. Also, by using a supercomputer, it is able to determine the gene network structure by a statistical permutation test in a practical time. SiGN-SSM is applicable not only to analyzing temporal regulatory dependencies between genes, but also to extracting the differentially regulated genes from time series expression profiles. SiGN-SSM is distributed under GNU Affero General Public Licence (GNU AGPL) version 3 and can be downloaded at http://sign.hgc.jp/signssm/. The pre-compiled binaries for some architectures are available in addition to the source code. The pre-installed binaries are also available on the Human Genome Center supercomputer system. The online manual and the supplementary information of SiGN-SSM is available on our web site. tamada@ims.u-tokyo.ac.jp.

Transferring ecosystem simulation codes to supercomputers

NASA Technical Reports Server (NTRS)

Skiles, J. W.; Schulbach, C. H.

1995-01-01

Many ecosystem simulation computer codes have been developed in the last twenty-five years. This development took place initially on main-frame computers, then mini-computers, and more recently, on micro-computers and workstations. Supercomputing platforms (both parallel and distributed systems) have been largely unused, however, because of the perceived difficulty in accessing and using the machines. Also, significant differences in the system architectures of sequential, scalar computers and parallel and/or vector supercomputers must be considered. We have transferred a grassland simulation model (developed on a VAX) to a Cray Y-MP/C90. We describe porting the model to the Cray and the changes we made to exploit the parallelism in the application and improve code execution. The Cray executed the model 30 times faster than the VAX and 10 times faster than a Unix workstation. We achieved an additional speedup of 30 percent by using the compiler's vectoring and 'in-line' capabilities. The code runs at only about 5 percent of the Cray's peak speed because it ineffectively uses the vector and parallel processing capabilities of the Cray. We expect that by restructuring the code, it could execute an additional six to ten times faster.

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.

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

Construction of Blaze at the University of Illinois at Chicago: A Shared, High-Performance, Visual Computer for Next-Generation Cyberinfrastructure-Accelerated Scientific, Engineering, Medical and Public Policy Research

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

Brown, Maxine D.; Leigh, Jason

2014-02-17

The Blaze high-performance visual computing system serves the high-performance computing research and education needs of University of Illinois at Chicago (UIC). Blaze consists of a state-of-the-art, networked, computer cluster and ultra-high-resolution visualization system called CAVE2(TM) that is currently not available anywhere in Illinois. This system is connected via a high-speed 100-Gigabit network to the State of Illinois' I-WIRE optical network, as well as to national and international high speed networks, such as the Internet2, and the Global Lambda Integrated Facility. This enables Blaze to serve as an on-ramp to national cyberinfrastructure, such as the National Science Foundation’s Blue Waters petascalemore » computer at the National Center for Supercomputing Applications at the University of Illinois at Chicago and the Department of Energy’s Argonne Leadership Computing Facility (ALCF) at Argonne National Laboratory. DOE award # DE-SC005067, leveraged with NSF award #CNS-0959053 for “Development of the Next-Generation CAVE Virtual Environment (NG-CAVE),” enabled us to create a first-of-its-kind high-performance visual computing system. The UIC Electronic Visualization Laboratory (EVL) worked with two U.S. companies to advance their commercial products and maintain U.S. leadership in the global information technology economy. New applications are being enabled with the CAVE2/Blaze visual computing system that is advancing scientific research and education in the U.S. and globally, and help train the next-generation workforce.« less

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.

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.

Ultrascalable petaflop parallel supercomputer

DOEpatents

Blumrich, Matthias A [Ridgefield, CT; Chen, Dong [Croton On Hudson, NY; Chiu, George [Cross River, NY; Cipolla, Thomas M [Katonah, NY; Coteus, Paul W [Yorktown Heights, NY; Gara, Alan G [Mount Kisco, NY; Giampapa, Mark E [Irvington, NY; Hall, Shawn [Pleasantville, NY; Haring, Rudolf A [Cortlandt Manor, NY; Heidelberger, Philip [Cortlandt Manor, NY; Kopcsay, Gerard V [Yorktown Heights, NY; Ohmacht, Martin [Yorktown Heights, NY; Salapura, Valentina [Chappaqua, NY; Sugavanam, Krishnan [Mahopac, NY; Takken, Todd [Brewster, NY

2010-07-20

A massively parallel supercomputer of petaOPS-scale includes node architectures based upon System-On-a-Chip technology, where each processing node comprises a single Application Specific Integrated Circuit (ASIC) having up to four processing elements. The ASIC nodes are interconnected by multiple independent networks that optimally maximize the throughput of packet communications between nodes with minimal latency. The multiple networks may include three high-speed networks for parallel algorithm message passing including a Torus, collective network, and a Global Asynchronous network that provides global barrier and notification functions. These multiple independent networks may be collaboratively or independently utilized according to the needs or phases of an algorithm for optimizing algorithm processing performance. The use of a DMA engine is provided to facilitate message passing among the nodes without the expenditure of processing resources at the node.

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

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

Parallel Computing and Model Evaluation for Environmental Systems: An Overview of the Supermuse and Frames Software Technologies

EPA Science Inventory

ERD’s Supercomputer for Model Uncertainty and Sensitivity Evaluation (SuperMUSE) is a key to enhancing quality assurance in environmental models and applications. Uncertainty analysis and sensitivity analysis remain critical, though often overlooked steps in the development and e...

NASA Tech Briefs, November/December 1986, Special Edition

NASA Technical Reports Server (NTRS)

1986-01-01

Topics: Computing: The View from NASA Headquarters; Earth Resources Laboratory Applications Software: Versatile Tool for Data Analysis; The Hypercube: Cost-Effective Supercomputing; Artificial Intelligence: Rendezvous with NASA; NASA's Ada Connection; COSMIC: NASA's Software Treasurehouse; Golden Oldies: Tried and True NASA Software; Computer Technical Briefs; NASA TU Services; Digital Fly-by-Wire.

SuperComputers for Space Applications

DTIC Science & Technology

2005-07-13

also ADM001791, Potentially Disruptive Technologies and Their Impact in Space Programs Held in Marseille, France on 4-6 July 2005. , The original...Performance Embedded Computing will allow Ambitious Space Science Investigation", Proc. First Symp. on Potentially Disruptive Technologies and Their Impact in Space Programs, 2005. ➦ SOMMAIRE/SUMMARY ➦ Data Processing

Distributed user services for supercomputers

NASA Technical Reports Server (NTRS)

Sowizral, Henry A.

1989-01-01

User-service operations at supercomputer facilities are examined. The question is whether a single, possibly distributed, user-services organization could be shared by NASA's supercomputer sites in support of a diverse, geographically dispersed, user community. A possible structure for such an organization is identified as well as some of the technologies needed in operating such an organization.

Implementation of the NAS Parallel Benchmarks in Java

NASA Technical Reports Server (NTRS)

Frumkin, Michael A.; Schultz, Matthew; Jin, Haoqiang; Yan, Jerry; Biegel, Bryan (Technical Monitor)

2002-01-01

Several features make Java an attractive choice for High Performance Computing (HPC). In order to gauge the applicability of Java to Computational Fluid Dynamics (CFD), we have implemented the NAS (NASA Advanced Supercomputing) Parallel Benchmarks in Java. The performance and scalability of the benchmarks point out the areas where improvement in Java compiler technology and in Java thread implementation would position Java closer to Fortran in the competition for CFD applications.

Applications of Massive Mathematical Computations

DTIC Science & Technology

1990-04-01

particles from the first principles of QCD . This problem is under intensive numerical study 11-6 using special purpose parallel supercomputers in...several places around the world. The method used here is the Monte Carlo integration for a fixed 3-D plus time lattices . Reliable results are still years...mathematical and theoretical physics, but its most promising applications are in the numerical realization of QCD computations. Our programs for the solution

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.

Building the interspace: Digital library infrastructure for a University Engineering Community

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

Schatz, B.

A large-scale digital library is being constructed and evaluated at the University of Illinois, with the goal of bringing professional search and display to Internet information services. A testbed planned to grow to 10K documents and 100K users is being constructed in the Grainger Engineering Library Information Center, as a joint effort of the University Library and the National Center for Supercomputing Applications (NCSA), with evaluation and research by the Graduate School of Library and Information Science and the Department of Computer Science. The electronic collection will be articles from engineering and science journals and magazines, obtained directly from publishersmore » in SGML format and displayed containing all text, figures, tables, and equations. The publisher partners include IEEE Computer Society, AIAA (Aerospace Engineering), American Physical Society, and Wiley & Sons. The software will be based upon NCSA Mosaic as a network engine connected to commercial SGML displayers and full-text searchers. The users will include faculty/students across the midwestern universities in the Big Ten, with evaluations via interviews, surveys, and transaction logs. Concurrently, research into scaling the testbed is being conducted. This includes efforts in computer science, information science, library science, and information systems. These efforts will evaluate different semantic retrieval technologies, including automatic thesaurus and subject classification graphs. New architectures will be designed and implemented for a next generation digital library infrastructure, the Interspace, which supports interaction with information spread across information spaces within the Net.« less

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.

Contract W911NF-09-1-0488 (Rush University Medical Center)

DTIC Science & Technology

2012-11-23

algorithm. In Proceedings of the 1993 ACM/IEEE Conference on Supercomputing, pages 12�21, New York, 1993. ACM. [8] R. Yokota, T. Hamada, J. P. Bardhan , M...computing gravity anom- alies. Geophysical Journal International, 2011. to appear. [13] R. Yokota, T. Hamada, J. P. Bardhan , M. G. Knepley, and L. A. Barba...extension of the petfmm a fast multipole library. Presentation at WCCM 2010, Sydney Australia, 2010. [15] J. P. Bardhan . Interpreting the Coulomb

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.

High Performance Molecular Visualization: In-Situ and Parallel Rendering with EGL.

PubMed

Stone, John E; Messmer, Peter; Sisneros, Robert; Schulten, Klaus

2016-05-01

Large scale molecular dynamics simulations produce terabytes of data that is impractical to transfer to remote facilities. It is therefore necessary to perform visualization tasks in-situ as the data are generated, or by running interactive remote visualization sessions and batch analyses co-located with direct access to high performance storage systems. A significant challenge for deploying visualization software within clouds, clusters, and supercomputers involves the operating system software required to initialize and manage graphics acceleration hardware. Recently, it has become possible for applications to use the Embedded-system Graphics Library (EGL) to eliminate the requirement for windowing system software on compute nodes, thereby eliminating a significant obstacle to broader use of high performance visualization applications. We outline the potential benefits of this approach in the context of visualization applications used in the cloud, on commodity clusters, and supercomputers. We discuss the implementation of EGL support in VMD, a widely used molecular visualization application, and we outline benefits of the approach for molecular visualization tasks on petascale computers, clouds, and remote visualization servers. We then provide a brief evaluation of the use of EGL in VMD, with tests using developmental graphics drivers on conventional workstations and on Amazon EC2 G2 GPU-accelerated cloud instance types. We expect that the techniques described here will be of broad benefit to many other visualization applications.

High Performance Molecular Visualization: In-Situ and Parallel Rendering with EGL

PubMed Central

Stone, John E.; Messmer, Peter; Sisneros, Robert; Schulten, Klaus

2016-01-01

Large scale molecular dynamics simulations produce terabytes of data that is impractical to transfer to remote facilities. It is therefore necessary to perform visualization tasks in-situ as the data are generated, or by running interactive remote visualization sessions and batch analyses co-located with direct access to high performance storage systems. A significant challenge for deploying visualization software within clouds, clusters, and supercomputers involves the operating system software required to initialize and manage graphics acceleration hardware. Recently, it has become possible for applications to use the Embedded-system Graphics Library (EGL) to eliminate the requirement for windowing system software on compute nodes, thereby eliminating a significant obstacle to broader use of high performance visualization applications. We outline the potential benefits of this approach in the context of visualization applications used in the cloud, on commodity clusters, and supercomputers. We discuss the implementation of EGL support in VMD, a widely used molecular visualization application, and we outline benefits of the approach for molecular visualization tasks on petascale computers, clouds, and remote visualization servers. We then provide a brief evaluation of the use of EGL in VMD, with tests using developmental graphics drivers on conventional workstations and on Amazon EC2 G2 GPU-accelerated cloud instance types. We expect that the techniques described here will be of broad benefit to many other visualization applications. PMID:27747137

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

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.

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

Using a multifrontal sparse solver in a high performance, finite element code

NASA Technical Reports Server (NTRS)

King, Scott D.; Lucas, Robert; Raefsky, Arthur

1990-01-01

We consider the performance of the finite element method on a vector supercomputer. The computationally intensive parts of the finite element method are typically the individual element forms and the solution of the global stiffness matrix both of which are vectorized in high performance codes. To further increase throughput, new algorithms are needed. We compare a multifrontal sparse solver to a traditional skyline solver in a finite element code on a vector supercomputer. The multifrontal solver uses the Multiple-Minimum Degree reordering heuristic to reduce the number of operations required to factor a sparse matrix and full matrix computational kernels (e.g., BLAS3) to enhance vector performance. The net result in an order-of-magnitude reduction in run time for a finite element application on one processor of a Cray X-MP.

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

The NEST Dry-Run Mode: Efficient Dynamic Analysis of Neuronal Network Simulation Code.

PubMed

Kunkel, Susanne; Schenck, Wolfram

2017-01-01

NEST is a simulator for spiking neuronal networks that commits to a general purpose approach: It allows for high flexibility in the design of network models, and its applications range from small-scale simulations on laptops to brain-scale simulations on supercomputers. Hence, developers need to test their code for various use cases and ensure that changes to code do not impair scalability. However, running a full set of benchmarks on a supercomputer takes up precious compute-time resources and can entail long queuing times. Here, we present the NEST dry-run mode, which enables comprehensive dynamic code analysis without requiring access to high-performance computing facilities. A dry-run simulation is carried out by a single process, which performs all simulation steps except communication as if it was part of a parallel environment with many processes. We show that measurements of memory usage and runtime of neuronal network simulations closely match the corresponding dry-run data. Furthermore, we demonstrate the successful application of the dry-run mode in the areas of profiling and performance modeling.

The NEST Dry-Run Mode: Efficient Dynamic Analysis of Neuronal Network Simulation Code

PubMed Central

Kunkel, Susanne; Schenck, Wolfram

2017-01-01

NEST is a simulator for spiking neuronal networks that commits to a general purpose approach: It allows for high flexibility in the design of network models, and its applications range from small-scale simulations on laptops to brain-scale simulations on supercomputers. Hence, developers need to test their code for various use cases and ensure that changes to code do not impair scalability. However, running a full set of benchmarks on a supercomputer takes up precious compute-time resources and can entail long queuing times. Here, we present the NEST dry-run mode, which enables comprehensive dynamic code analysis without requiring access to high-performance computing facilities. A dry-run simulation is carried out by a single process, which performs all simulation steps except communication as if it was part of a parallel environment with many processes. We show that measurements of memory usage and runtime of neuronal network simulations closely match the corresponding dry-run data. Furthermore, we demonstrate the successful application of the dry-run mode in the areas of profiling and performance modeling. PMID:28701946

Researchers Mine Information from Next-Generation Subsurface Flow Simulations

DOE PAGES

Gedenk, Eric D.

2015-12-01

A research team based at Virginia Tech University leveraged computing resources at the US Department of Energy's (DOE's) Oak Ridge National Laboratory to explore subsurface multiphase flow phenomena that can't be experimentally observed. Using the Cray XK7 Titan supercomputer at the Oak Ridge Leadership Computing Facility, the team took Micro-CT images of subsurface geologic systems and created two-phase flow simulations. The team's model development has implications for computational research pertaining to carbon sequestration, oil recovery, and contaminant transport.

Final Report for Project FG02-05ER25685

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

Xiaosong Ma

2009-05-07

In this report, the PI summarizes the results and achievements obtained in the sponsored project. Overall, the project has been very successful and produced both research results in massive data-intensive computing and data management for large scale supercomputers today, and in open-source software products. During the project period, 14 conference/journal publications, as well as two PhD students, have been produced due to exclusive or shared support from this award. In addition, the PI has recently been granted tenure from NC State University.

Properties of the numerical algorithms for problems of quantum information technologies: Benefits of deep analysis

NASA Astrophysics Data System (ADS)

Chernyavskiy, Andrey; Khamitov, Kamil; Teplov, Alexey; Voevodin, Vadim; Voevodin, Vladimir

2016-10-01

In recent years, quantum information technologies (QIT) showed great development, although, the way of the implementation of QIT faces the serious difficulties, some of which are challenging computational tasks. This work is devoted to the deep and broad analysis of the parallel algorithmic properties of such tasks. As an example we take one- and two-qubit transformations of a many-qubit quantum state, which are the most critical kernels of many important QIT applications. The analysis of the algorithms uses the methodology of the AlgoWiki project (algowiki-project.org) and consists of two parts: theoretical and experimental. Theoretical part includes features like sequential and parallel complexity, macro structure, and visual information graph. Experimental part was made by using the petascale Lomonosov supercomputer (Moscow State University, Russia) and includes the analysis of locality and memory access, scalability and the set of more specific dynamic characteristics of realization. This approach allowed us to obtain bottlenecks and generate ideas of efficiency improvement.

The Modern Research Data Portal: A Design Pattern for Networked, Data-Intensive Science

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

Chard, Kyle; Dart, Eli; Foster, Ian

Here we describe best practices for providing convenient, high-speed, secure access to large data via research data portals. We capture these best practices in a new design pattern, the Modern Research Data Portal, that disaggregates the traditional monolithic web-based data portal to achieve orders-of-magnitude increases in data transfer performance, support new deployment architectures that decouple control logic from data storage, and reduce development and operations costs. We introduce the design pattern; explain how it leverages high-performance Science DMZs and cloud-based data management services; review representative examples at research laboratories and universities, including both experimental facilities and supercomputer sites; describe howmore » to leverage Python APIs for authentication, authorization, data transfer, and data sharing; and use coding examples to demonstrate how these APIs can be used to implement a range of research data portal capabilities. Sample code at a companion web site, https://docs.globus.org/mrdp, provides application skeletons that readers can adapt to realize their own research data portals.« less

The Modern Research Data Portal: a design pattern for networked, data-intensive science

DOE PAGES

Chard, Kyle; Dart, Eli; Foster, Ian; ...

2018-01-15

We describe best practices for providing convenient, high-speed, secure access to large data via research data portals. Here, we capture these best practices in a new design pattern, the Modern Research Data Portal, that disaggregates the traditional monolithic web-based data portal to achieve orders-of-magnitude increases in data transfer performance, support new deployment architectures that decouple control logic from data storage, and reduce development and operations costs. We introduce the design pattern; explain how it leverages high-performance data enclaves and cloud-based data management services; review representative examples at research laboratories and universities, including both experimental facilities and supercomputer sites; describe howmore » to leverage Python APIs for authentication, authorization, data transfer, and data sharing; and use coding examples to demonstrate how these APIs can be used to implement a range of research data portal capabilities. Sample code at a companion web site,https://docs.globus.org/mrdp, provides application skeletons that readers can adapt to realize their own research data portals.« less

The Modern Research Data Portal: a design pattern for networked, data-intensive science

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

Chard, Kyle; Dart, Eli; Foster, Ian

We describe best practices for providing convenient, high-speed, secure access to large data via research data portals. Here, we capture these best practices in a new design pattern, the Modern Research Data Portal, that disaggregates the traditional monolithic web-based data portal to achieve orders-of-magnitude increases in data transfer performance, support new deployment architectures that decouple control logic from data storage, and reduce development and operations costs. We introduce the design pattern; explain how it leverages high-performance data enclaves and cloud-based data management services; review representative examples at research laboratories and universities, including both experimental facilities and supercomputer sites; describe howmore » to leverage Python APIs for authentication, authorization, data transfer, and data sharing; and use coding examples to demonstrate how these APIs can be used to implement a range of research data portal capabilities. Sample code at a companion web site,https://docs.globus.org/mrdp, provides application skeletons that readers can adapt to realize their own research data portals.« less

IMIRSEL: a secure music retrieval testing environment

NASA Astrophysics Data System (ADS)

Downie, John S.

2004-10-01

The Music Information Retrieval (MIR) and Music Digital Library (MDL) research communities have long noted the need for formal evaluation mechanisms. Issues concerning the unavailability of freely-available music materials have greatly hindered the creation of standardized test collections with which these communities could scientifically assess the strengths and weaknesses of their various music retrieval techniques. The International Music Information Retrieval Systems Evaluation Laboratory (IMIRSEL) is being developed at the University of Illinois at Urbana-Champaign (UIUC) specifically to overcome this hindrance to the scientific evaluation of MIR/MDL systems. Together with its subsidiary Human Use of Music Information Retrieval Systems (HUMIRS) project, IMIRSEL will allow MIR/MDL researchers access to the standardized large-scale collection of copyright-sensitive music materials and standardized test queries being housed at UIUC's National Center for Supercomputing Applications (NCSA). Virtual Research Labs (VRL), based upon NCSA's Data-to-Knowledge (D2K) tool set, are being developed through which MIR/MDL researchers will interact with the music materials under a "trusted code" security model.

Computational Nanotechnology at NASA Ames Research Center, 1996

NASA Technical Reports Server (NTRS)

Globus, Al; Bailey, David; Langhoff, Steve; Pohorille, Andrew; Levit, Creon; Chancellor, Marisa K. (Technical Monitor)

1996-01-01

Some forms of nanotechnology appear to have enormous potential to improve aerospace and computer systems; computational nanotechnology, the design and simulation of programmable molecular machines, is crucial to progress. NASA Ames Research Center has begun a computational nanotechnology program including in-house work, external research grants, and grants of supercomputer time. Four goals have been established: (1) Simulate a hypothetical programmable molecular machine replicating itself and building other products. (2) Develop molecular manufacturing CAD (computer aided design) software and use it to design molecular manufacturing systems and products of aerospace interest, including computer components. (3) Characterize nanotechnologically accessible materials of aerospace interest. Such materials may have excellent strength and thermal properties. (4) Collaborate with experimentalists. Current in-house activities include: (1) Development of NanoDesign, software to design and simulate a nanotechnology based on functionalized fullerenes. Early work focuses on gears. (2) A design for high density atomically precise memory. (3) Design of nanotechnology systems based on biology. (4) Characterization of diamonoid mechanosynthetic pathways. (5) Studies of the laplacian of the electronic charge density to understand molecular structure and reactivity. (6) Studies of entropic effects during self-assembly. Characterization of properties of matter for clusters up to sizes exhibiting bulk properties. In addition, the NAS (NASA Advanced Supercomputing) supercomputer division sponsored a workshop on computational molecular nanotechnology on March 4-5, 1996 held at NASA Ames Research Center. Finally, collaborations with Bill Goddard at CalTech, Ralph Merkle at Xerox Parc, Don Brenner at NCSU (North Carolina State University), Tom McKendree at Hughes, and Todd Wipke at UCSC are underway.

Implementing Scientific Simulation Codes Highly Tailored for Vector Architectures Using Custom Configurable Computing Machines

NASA Technical Reports Server (NTRS)

Rutishauser, David

2006-01-01

The motivation for this work comes from an observation that amidst the push for Massively Parallel (MP) solutions to high-end computing problems such as numerical physical simulations, large amounts of legacy code exist that are highly optimized for vector supercomputers. Because re-hosting legacy code often requires a complete re-write of the original code, which can be a very long and expensive effort, this work examines the potential to exploit reconfigurable computing machines in place of a vector supercomputer to implement an essentially unmodified legacy source code. Custom and reconfigurable computing resources could be used to emulate an original application's target platform to the extent required to achieve high performance. To arrive at an architecture that delivers the desired performance subject to limited resources involves solving a multi-variable optimization problem with constraints. Prior research in the area of reconfigurable computing has demonstrated that designing an optimum hardware implementation of a given application under hardware resource constraints is an NP-complete problem. The premise of the approach is that the general issue of applying reconfigurable computing resources to the implementation of an application, maximizing the performance of the computation subject to physical resource constraints, can be made a tractable problem by assuming a computational paradigm, such as vector processing. This research contributes a formulation of the problem and a methodology to design a reconfigurable vector processing implementation of a given application that satisfies a performance metric. A generic, parametric, architectural framework for vector processing implemented in reconfigurable logic is developed as a target for a scheduling/mapping algorithm that maps an input computation to a given instance of the architecture. This algorithm is integrated with an optimization framework to arrive at a specification of the architecture parameters that attempts to minimize execution time, while staying within resource constraints. The flexibility of using a custom reconfigurable implementation is exploited in a unique manner to leverage the lessons learned in vector supercomputer development. The vector processing framework is tailored to the application, with variable parameters that are fixed in traditional vector processing. Benchmark data that demonstrates the functionality and utility of the approach is presented. The benchmark data includes an identified bottleneck in a real case study example vector code, the NASA Langley Terminal Area Simulation System (TASS) application.

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.

ExM:System Support for Extreme-Scale, Many-Task Applications

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

Katz, Daniel S

The ever-increasing power of supercomputer systems is both driving and enabling the emergence of new problem-solving methods that require the effi cient execution of many concurrent and interacting tasks. Methodologies such as rational design (e.g., in materials science), uncertainty quanti fication (e.g., in engineering), parameter estimation (e.g., for chemical and nuclear potential functions, and in economic energy systems modeling), massive dynamic graph pruning (e.g., in phylogenetic searches), Monte-Carlo- based iterative fi xing (e.g., in protein structure prediction), and inverse modeling (e.g., in reservoir simulation) all have these requirements. These many-task applications frequently have aggregate computing needs that demand the fastestmore » computers. For example, proposed next-generation climate model ensemble studies will involve 1,000 or more runs, each requiring 10,000 cores for a week, to characterize model sensitivity to initial condition and parameter uncertainty. The goal of the ExM project is to achieve the technical advances required to execute such many-task applications efficiently, reliably, and easily on petascale and exascale computers. In this way, we will open up extreme-scale computing to new problem solving methods and application classes. In this document, we report on combined technical progress of the collaborative ExM project, and the institutional financial status of the portion of the project at University of Chicago, over the rst 8 months (through April 30, 2011)« less

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 .

On the energy footprint of I/O management in Exascale HPC systems

DOE PAGES

Dorier, Matthieu; Yildiz, Orcun; Ibrahim, Shadi; ...

2016-03-21

The advent of unprecedentedly scalable yet energy hungry Exascale supercomputers poses a major challenge in sustaining a high performance-per-watt ratio. With I/O management acquiring a crucial role in supporting scientific simulations, various I/O management approaches have been proposed to achieve high performance and scalability. But, the details of how these approaches affect energy consumption have not been studied yet. Therefore, this paper aims to explore how much energy a supercomputer consumes while running scientific simulations when adopting various I/O management approaches. In particular, we closely examine three radically different I/O schemes including time partitioning, dedicated cores, and dedicated nodes. Tomore » accomplish this, we implement the three approaches within the Damaris I/O middleware and perform extensive experiments with one of the target HPC applications of the Blue Waters sustained-petaflop supercomputer project: the CM1 atmospheric model. Our experimental results obtained on the French Grid'5000 platform highlight the differences among these three approaches and illustrate in which way various configurations of the application and of the system can impact performance and energy consumption. Moreover, we propose and validate a mathematical model that estimates the energy consumption of a HPC simulation under different I/O approaches. This proposed model gives hints to pre-select the most energy-efficient I/O approach for a particular simulation on a particular HPC system and therefore provides a step towards energy-efficient HPC simulations in Exascale systems. To the best of our knowledge, our work provides the first in-depth look into the energy-performance tradeoffs of I/O management approaches.« less

Modern gyrokinetic particle-in-cell simulation of fusion plasmas on top supercomputers

DOE PAGES

Wang, Bei; Ethier, Stephane; Tang, William; ...

2017-06-29

The Gyrokinetic Toroidal Code at Princeton (GTC-P) is a highly scalable and portable particle-in-cell (PIC) code. It solves the 5D Vlasov-Poisson equation featuring efficient utilization of modern parallel computer architectures at the petascale and beyond. Motivated by the goal of developing a modern code capable of dealing with the physics challenge of increasing problem size with sufficient resolution, new thread-level optimizations have been introduced as well as a key additional domain decomposition. GTC-P's multiple levels of parallelism, including inter-node 2D domain decomposition and particle decomposition, as well as intra-node shared memory partition and vectorization have enabled pushing the scalability ofmore » the PIC method to extreme computational scales. In this paper, we describe the methods developed to build a highly parallelized PIC code across a broad range of supercomputer designs. This particularly includes implementations on heterogeneous systems using NVIDIA GPU accelerators and Intel Xeon Phi (MIC) co-processors and performance comparisons with state-of-the-art homogeneous HPC systems such as Blue Gene/Q. New discovery science capabilities in the magnetic fusion energy application domain are enabled, including investigations of Ion-Temperature-Gradient (ITG) driven turbulence simulations with unprecedented spatial resolution and long temporal duration. Performance studies with realistic fusion experimental parameters are carried out on multiple supercomputing systems spanning a wide range of cache capacities, cache-sharing configurations, memory bandwidth, interconnects and network topologies. These performance comparisons using a realistic discovery-science-capable domain application code provide valuable insights on optimization techniques across one of the broadest sets of current high-end computing platforms worldwide.« less

Modern gyrokinetic particle-in-cell simulation of fusion plasmas on top supercomputers

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

Wang, Bei; Ethier, Stephane; Tang, William

The Gyrokinetic Toroidal Code at Princeton (GTC-P) is a highly scalable and portable particle-in-cell (PIC) code. It solves the 5D Vlasov-Poisson equation featuring efficient utilization of modern parallel computer architectures at the petascale and beyond. Motivated by the goal of developing a modern code capable of dealing with the physics challenge of increasing problem size with sufficient resolution, new thread-level optimizations have been introduced as well as a key additional domain decomposition. GTC-P's multiple levels of parallelism, including inter-node 2D domain decomposition and particle decomposition, as well as intra-node shared memory partition and vectorization have enabled pushing the scalability ofmore » the PIC method to extreme computational scales. In this paper, we describe the methods developed to build a highly parallelized PIC code across a broad range of supercomputer designs. This particularly includes implementations on heterogeneous systems using NVIDIA GPU accelerators and Intel Xeon Phi (MIC) co-processors and performance comparisons with state-of-the-art homogeneous HPC systems such as Blue Gene/Q. New discovery science capabilities in the magnetic fusion energy application domain are enabled, including investigations of Ion-Temperature-Gradient (ITG) driven turbulence simulations with unprecedented spatial resolution and long temporal duration. Performance studies with realistic fusion experimental parameters are carried out on multiple supercomputing systems spanning a wide range of cache capacities, cache-sharing configurations, memory bandwidth, interconnects and network topologies. These performance comparisons using a realistic discovery-science-capable domain application code provide valuable insights on optimization techniques across one of the broadest sets of current high-end computing platforms worldwide.« less

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.

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.

Real science at the petascale.

PubMed

Saksena, Radhika S; Boghosian, Bruce; Fazendeiro, Luis; Kenway, Owain A; Manos, Steven; Mazzeo, Marco D; Sadiq, S Kashif; Suter, James L; Wright, David; Coveney, Peter V

2009-06-28

We describe computational science research that uses petascale resources to achieve scientific results at unprecedented scales and resolution. The applications span a wide range of domains, from investigation of fundamental problems in turbulence through computational materials science research to biomedical applications at the forefront of HIV/AIDS research and cerebrovascular haemodynamics. This work was mainly performed on the US TeraGrid 'petascale' resource, Ranger, at Texas Advanced Computing Center, in the first half of 2008 when it was the largest computing system in the world available for open scientific research. We have sought to use this petascale supercomputer optimally across application domains and scales, exploiting the excellent parallel scaling performance found on up to at least 32 768 cores for certain of our codes in the so-called 'capability computing' category as well as high-throughput intermediate-scale jobs for ensemble simulations in the 32-512 core range. Furthermore, this activity provides evidence that conventional parallel programming with MPI should be successful at the petascale in the short to medium term. We also report on the parallel performance of some of our codes on up to 65 636 cores on the IBM Blue Gene/P system at the Argonne Leadership Computing Facility, which has recently been named the fastest supercomputer in the world for open science.

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.

: A Scalable and Transparent System for Simulating MPI Programs

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

Perumalla, Kalyan S

2010-01-01

is a scalable, transparent system for experimenting with the execution of parallel programs on simulated computing platforms. The level of simulated detail can be varied for application behavior as well as for machine characteristics. Unique features of are repeatability of execution, scalability to millions of simulated (virtual) MPI ranks, scalability to hundreds of thousands of host (real) MPI ranks, portability of the system to a variety of host supercomputing platforms, and the ability to experiment with scientific applications whose source-code is available. The set of source-code interfaces supported by is being expanded to support a wider set of applications, andmore » MPI-based scientific computing benchmarks are being ported. In proof-of-concept experiments, has been successfully exercised to spawn and sustain very large-scale executions of an MPI test program given in source code form. Low slowdowns are observed, due to its use of purely discrete event style of execution, and due to the scalability and efficiency of the underlying parallel discrete event simulation engine, sik. In the largest runs, has been executed on up to 216,000 cores of a Cray XT5 supercomputer, successfully simulating over 27 million virtual MPI ranks, each virtual rank containing its own thread context, and all ranks fully synchronized by virtual time.« less

Chickscope Realized: A Situated Evaluation of a Sixth-Grade Classroom.

ERIC Educational Resources Information Center

Hogan, Maureen P.

2000-01-01

This is a case study of two sixth-grade teachers from Illinois who participated in a semester-long inservice to learn about Chickscope, a supercomputing application that allows students and teachers remote access to magnetic resonance images of chicken embryos. Shows how they produced an inquiry-based unit on chicken weight and measurement.…

Measurements over distributed high performance computing and storage systems

NASA Technical Reports Server (NTRS)

Williams, Elizabeth; Myers, Tom

1993-01-01

A strawman proposal is given for a framework for presenting a common set of metrics for supercomputers, workstations, file servers, mass storage systems, and the networks that interconnect them. Production control and database systems are also included. Though other applications and third part software systems are not addressed, it is important to measure them as well.

Applications Development for a Parallel COTS Spaceborne Computer

NASA Technical Reports Server (NTRS)

Katz, Daniel S.; Springer, Paul L.; Granat, Robert; Turmon, Michael

2000-01-01

This presentation reviews the Remote Exploration and Experimentation Project (REE) program for utilization of scalable supercomputing technology in space. The implementation of REE will be the use of COTS hardware and software to the maximum extent possible, keeping overhead low. Since COTS systems will be used, with little or no special modification, there will be significant cost reduction.

Science & Technology Review June 2012

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

Poyneer, L A

2012-04-20

This month's issue has the following articles: (1) A New Era in Climate System Analysis - Commentary by William H. Goldstein; (2) Seeking Clues to Climate Change - By comparing past climate records with results from computer simulations, Livermore scientists can better understand why Earth's climate has changed and how it might change in the future; (3) Finding and Fixing a Supercomputer's Faults - Livermore experts have developed innovative methods to detect hardware faults in supercomputers and help applications recover from errors that do occur; (4) Targeting Ignition - Enhancements to the cryogenic targets for National Ignition Facility experiments aremore » furthering work to achieve fusion ignition with energy gain; (5) Neural Implants Come of Age - A new generation of fully implantable, biocompatible neural prosthetics offers hope to patients with neurological impairment; and (6) Incubator Busy Growing Energy Technologies - Six collaborations with industrial partners are using the Laboratory's high-performance computing resources to find solutions to urgent energy-related problems.« less

High Performance Computing at NASA

NASA Technical Reports Server (NTRS)

Bailey, David H.; Cooper, D. M. (Technical Monitor)

1994-01-01

The speaker will give an overview of high performance computing in the U.S. in general and within NASA in particular, including a description of the recently signed NASA-IBM cooperative agreement. The latest performance figures of various parallel systems on the NAS Parallel Benchmarks will be presented. The speaker was one of the authors of the NAS (National Aerospace Standards) Parallel Benchmarks, which are now widely cited in the industry as a measure of sustained performance on realistic high-end scientific applications. It will be shown that significant progress has been made by the highly parallel supercomputer industry during the past year or so, with several new systems, based on high-performance RISC processors, that now deliver superior performance per dollar compared to conventional supercomputers. Various pitfalls in reporting performance will be discussed. The speaker will then conclude by assessing the general state of the high performance computing field.

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.

Grid Computing Environment using a Beowulf Cluster

NASA Astrophysics Data System (ADS)

Alanis, Fransisco; Mahmood, Akhtar

2003-10-01

Custom-made Beowulf clusters using PCs are currently replacing expensive supercomputers to carry out complex scientific computations. At the University of Texas - Pan American, we built a 8 Gflops Beowulf Cluster for doing HEP research using RedHat Linux 7.3 and the LAM-MPI middleware. We will describe how we built and configured our Cluster, which we have named the Sphinx Beowulf Cluster. We will describe the results of our cluster benchmark studies and the run-time plots of several parallel application codes that were compiled in C on the cluster using the LAM-XMPI graphics user environment. We will demonstrate a "simple" prototype grid environment, where we will submit and run parallel jobs remotely across multiple cluster nodes over the internet from the presentation room at Texas Tech. University. The Sphinx Beowulf Cluster will be used for monte-carlo grid test-bed studies for the LHC-ATLAS high energy physics experiment. Grid is a new IT concept for the next generation of the "Super Internet" for high-performance computing. The Grid will allow scientist worldwide to view and analyze huge amounts of data flowing from the large-scale experiments in High Energy Physics. The Grid is expected to bring together geographically and organizationally dispersed computational resources, such as CPUs, storage systems, communication systems, and data sources.

Visualization at Supercomputing Centers: The Tale of Little Big Iron and the Three Skinny Guys

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

Bethel, E. Wes; van Rosendale, John; Southard, Dale

2010-12-01

Supercomputing Centers (SC's) are unique resources that aim to enable scientific knowledge discovery through the use of large computational resources, the Big Iron. Design, acquisition, installation, and management of the Big Iron are activities that are carefully planned and monitored. Since these Big Iron systems produce a tsunami of data, it is natural to co-locate visualization and analysis infrastructure as part of the same facility. This infrastructure consists of hardware (Little Iron) and staff (Skinny Guys). Our collective experience suggests that design, acquisition, installation, and management of the Little Iron and Skinny Guys does not receive the same level ofmore » treatment as that of the Big Iron. The main focus of this article is to explore different aspects of planning, designing, fielding, and maintaining the visualization and analysis infrastructure at supercomputing centers. Some of the questions we explore in this article include:"How should the Little Iron be sized to adequately support visualization and analysis of data coming off the Big Iron?" What sort of capabilities does it need to have?" Related questions concern the size of visualization support staff:"How big should a visualization program be (number of persons) and what should the staff do?" and"How much of the visualization should be provided as a support service, and how much should applications scientists be expected to do on their own?"« less

Using Supercomputers to Probe the Early Universe

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

Giorgi, Elena Edi

For decades physicists have been trying to decipher the first moments after the Big Bang. Using very large telescopes, for example, scientists scan the skies and look at how fast galaxies move. Satellites study the relic radiation left from the Big Bang, called the cosmic microwave background radiation. And finally, particle colliders, like the Large Hadron Collider at CERN, allow researchers to smash protons together and analyze the debris left behind by such collisions. Physicists at Los Alamos National Laboratory, however, are taking a different approach: they are using computers. In collaboration with colleagues at University of California San Diego,more » the Los Alamos researchers developed a computer code, called BURST, that can simulate conditions during the first few minutes of cosmological evolution.« less

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.

Automated Help System For A Supercomputer

NASA Technical Reports Server (NTRS)

Callas, George P.; Schulbach, Catherine H.; Younkin, Michael

1994-01-01

Expert-system software developed to provide automated system of user-helping displays in supercomputer system at Ames Research Center Advanced Computer Facility. Users located at remote computer terminals connected to supercomputer and each other via gateway computers, local-area networks, telephone lines, and satellite links. Automated help system answers routine user inquiries about how to use services of computer system. Available 24 hours per day and reduces burden on human experts, freeing them to concentrate on helping users with complicated problems.

Bellerophon

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

Lingerfelt, Eric J; Messer, II, Otis E

2017-01-02

The Bellerophon software system supports CHIMERA, a production-level HPC application that simulates the evolution of core-collapse supernovae. Bellerophon enables CHIMERA's geographically dispersed team of collaborators to perform job monitoring and real-time data analysis from multiple supercomputing resources, including platforms at OLCF, NERSC, and NICS. Its multi-tier architecture provides an encapsulated, end-to-end software solution that enables the CHIMERA team to quickly and easily access highly customizable animated and static views of results from anywhere in the world via a cross-platform desktop application.

The NAS parallel benchmarks

NASA Technical Reports Server (NTRS)

Bailey, David (Editor); Barton, John (Editor); Lasinski, Thomas (Editor); Simon, Horst (Editor)

1993-01-01

A new set of benchmarks was developed for the performance evaluation of highly parallel supercomputers. These benchmarks consist of a set of kernels, the 'Parallel Kernels,' and a simulated application benchmark. Together they mimic the computation and data movement characteristics of large scale computational fluid dynamics (CFD) applications. The principal distinguishing feature of these benchmarks is their 'pencil and paper' specification - all details of these benchmarks are specified only algorithmically. In this way many of the difficulties associated with conventional benchmarking approaches on highly parallel systems are avoided.

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

Ngi and Internet2: accelerating the creation of tomorrow's internet.

PubMed

Kratz, M; Ackerman, M; Hanss, T; Corbato, S

2001-01-01

Internet2 is a consortium of leading U.S. universities working in partnership with industry and the U.S. government's Next Generation Internet (NGI) initiative to develop a faster, more reliable Internet for research and education including enhanced, high-performance networking services and the advanced applications that are enabled by those services [1]. By facilitating and coordinating the development, deployment, operation, and technology transfer of advanced, network-based applications and network services, Internet2 and NGI are working together to fundamentally change the way scientists, engineers, clinicians, and others work together. [http://www.internet2.edu] The NGI Program has three tracks: research, network testbeds, and applications. The aim of the research track is to promote experimentation with the next generation of network technologies. The network testbed track aims to develop next generation network testbeds to connect universities and federal research institutions at speeds that are sufficient to demonstrate new technologies and support future research. The aim of the applications track is to demonstrate new applications, enabled by the NGI networks, to meet important national goals and missions [2]. [http://www.ngi.gov/] The Internet2/NGI backbone networks, Abilene and vBNS (very high performance Backbone Network Service), provide the basis of collaboration and development for a new breed of advanced medical applications. Academic medical centers leverage the resources available throughout the Internet2 high-performance networking community for high-capacity broadband and selectable quality of service to make effective use of national repositories. The Internet2 Health Sciences Initiative enables a new generation of emerging medical applications whose architecture and development have been restricted by or are beyond the constraints of traditional Internet environments. These initiatives facilitate a variety of activities to foster the development and deployment of emerging applications that meet the requirements of clinical practice, medical and related biological research, education, and medical awareness throughout the public sector. Medical applications that work with high performance networks and supercomputing capabilities offer exciting new solutions for the medical industry. Internet2 and NGI,strive to combine the expertise of their constituents to establish a distributed knowledge system for achieving innovation in research, teaching, learning, and clinical care.

NASA Advanced Supercomputing (NAS) User Services Group

NASA Technical Reports Server (NTRS)

Pandori, John; Hamilton, Chris; Niggley, C. E.; Parks, John W. (Technical Monitor)

2002-01-01

This viewgraph presentation provides an overview of NAS (NASA Advanced Supercomputing), its goals, and its mainframe computer assets. Also covered are its functions, including systems monitoring and technical support.

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.

Scientific Computing Paradigm

NASA Technical Reports Server (NTRS)

VanZandt, John

1994-01-01

The usage model of supercomputers for scientific applications, such as computational fluid dynamics (CFD), has changed over the years. Scientific visualization has moved scientists away from looking at numbers to looking at three-dimensional images, which capture the meaning of the data. This change has impacted the system models for computing. This report details the model which is used by scientists at NASA's research centers.

Production experience with the ATLAS Event Service

NASA Astrophysics Data System (ADS)

Benjamin, D.; Calafiura, P.; Childers, T.; De, K.; Guan, W.; Maeno, T.; Nilsson, P.; Tsulaia, V.; Van Gemmeren, P.; Wenaus, T.; ATLAS Collaboration

2017-10-01

The ATLAS Event Service (AES) has been designed and implemented for efficient running of ATLAS production workflows on a variety of computing platforms, ranging from conventional Grid sites to opportunistic, often short-lived resources, such as spot market commercial clouds, supercomputers and volunteer computing. The Event Service architecture allows real time delivery of fine grained workloads to running payload applications which process dispatched events or event ranges and immediately stream the outputs to highly scalable Object Stores. Thanks to its agile and flexible architecture the AES is currently being used by grid sites for assigning low priority workloads to otherwise idle computing resources; similarly harvesting HPC resources in an efficient back-fill mode; and massively scaling out to the 50-100k concurrent core level on the Amazon spot market to efficiently utilize those transient resources for peak production needs. Platform ports in development include ATLAS@Home (BOINC) and the Google Compute Engine, and a growing number of HPC platforms. After briefly reviewing the concept and the architecture of the Event Service, we will report the status and experience gained in AES commissioning and production operations on supercomputers, and our plans for extending ES application beyond Geant4 simulation to other workflows, such as reconstruction and data analysis.

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.

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

An efficient framework for Java data processing systems in HPC environments

NASA Astrophysics Data System (ADS)

Fries, Aidan; Castañeda, Javier; Isasi, Yago; Taboada, Guillermo L.; Portell de Mora, Jordi; Sirvent, Raül

2011-11-01

Java is a commonly used programming language, although its use in High Performance Computing (HPC) remains relatively low. One of the reasons is a lack of libraries offering specific HPC functions to Java applications. In this paper we present a Java-based framework, called DpcbTools, designed to provide a set of functions that fill this gap. It includes a set of efficient data communication functions based on message-passing, thus providing, when a low latency network such as Myrinet is available, higher throughputs and lower latencies than standard solutions used by Java. DpcbTools also includes routines for the launching, monitoring and management of Java applications on several computing nodes by making use of JMX to communicate with remote Java VMs. The Gaia Data Processing and Analysis Consortium (DPAC) is a real case where scientific data from the ESA Gaia astrometric satellite will be entirely processed using Java. In this paper we describe the main elements of DPAC and its usage of the DpcbTools framework. We also assess the usefulness and performance of DpcbTools through its performance evaluation and the analysis of its impact on some DPAC systems deployed in the MareNostrum supercomputer (Barcelona Supercomputing Center).

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

Bailey, David H.

The NAS Parallel Benchmarks (NPB) are a suite of parallel computer performance benchmarks. They were originally developed at the NASA Ames Research Center in 1991 to assess high-end parallel supercomputers. Although they are no longer used as widely as they once were for comparing high-end system performance, they continue to be studied and analyzed a great deal in the high-performance computing community. The acronym 'NAS' originally stood for the Numerical Aeronautical Simulation Program at NASA Ames. The name of this organization was subsequently changed to the Numerical Aerospace Simulation Program, and more recently to the NASA Advanced Supercomputing Center, althoughmore » the acronym remains 'NAS.' The developers of the original NPB suite were David H. Bailey, Eric Barszcz, John Barton, David Browning, Russell Carter, LeoDagum, Rod Fatoohi, Samuel Fineberg, Paul Frederickson, Thomas Lasinski, Rob Schreiber, Horst Simon, V. Venkatakrishnan and Sisira Weeratunga. The original NAS Parallel Benchmarks consisted of eight individual benchmark problems, each of which focused on some aspect of scientific computing. The principal focus was in computational aerophysics, although most of these benchmarks have much broader relevance, since in a much larger sense they are typical of many real-world scientific computing applications. The NPB suite grew out of the need for a more rational procedure to select new supercomputers for acquisition by NASA. The emergence of commercially available highly parallel computer systems in the late 1980s offered an attractive alternative to parallel vector supercomputers that had been the mainstay of high-end scientific computing. However, the introduction of highly parallel systems was accompanied by a regrettable level of hype, not only on the part of the commercial vendors but even, in some cases, by scientists using the systems. As a result, it was difficult to discern whether the new systems offered any fundamental performance advantage over vector supercomputers, and, if so, which of the parallel offerings would be most useful in real-world scientific computation. In part to draw attention to some of the performance reporting abuses prevalent at the time, the present author wrote a humorous essay 'Twelve Ways to Fool the Masses,' which described in a light-hearted way a number of the questionable ways in which both vendor marketing people and scientists were inflating and distorting their performance results. All of this underscored the need for an objective and scientifically defensible measure to compare performance on these systems.« less

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)

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.

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.

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.

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.

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.

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.

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.

Simulating the Dynamics of Earth's Core: Using NCCS Supercomputers Speeds Calculations

NASA Technical Reports Server (NTRS)

2002-01-01

If one wanted to study Earth's core directly, one would have to drill through about 1,800 miles of solid rock to reach liquid core-keeping the tunnel from collapsing under pressures that are more than 1 million atmospheres and then sink an instrument package to the bottom that could operate at 8,000 F with 10,000 tons of force crushing every square inch of its surface. Even then, several of these tunnels would probably be needed to obtain enough data. Faced with difficult or impossible tasks such as these, scientists use other available sources of information - such as seismology, mineralogy, geomagnetism, geodesy, and, above all, physical principles - to derive a model of the core and, study it by running computer simulations. One NASA researcher is doing just that on NCCS computers. Physicist and applied mathematician Weijia Kuang, of the Space Geodesy Branch, and his collaborators at Goddard have what he calls the,"second - ever" working, usable, self-consistent, fully dynamic, three-dimensional geodynamic model (see "The Geodynamic Theory"). Kuang runs his model simulations on the supercomputers at the NCCS. He and Jeremy Bloxham, of Harvard University, developed the original version, written in Fortran 77, in 1996.

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

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

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 compositional reservoir simulator on distributed memory parallel computers

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

Rame, M.; Delshad, M.

1995-12-31

This paper presents the application of distributed memory parallel computes to field scale reservoir simulations using a parallel version of UTCHEM, The University of Texas Chemical Flooding Simulator. The model is a general purpose highly vectorized chemical compositional simulator that can simulate a wide range of displacement processes at both field and laboratory scales. The original simulator was modified to run on both distributed memory parallel machines (Intel iPSC/960 and Delta, Connection Machine 5, Kendall Square 1 and 2, and CRAY T3D) and a cluster of workstations. A domain decomposition approach has been taken towards parallelization of the code. Amore » portion of the discrete reservoir model is assigned to each processor by a set-up routine that attempts a data layout as even as possible from the load-balance standpoint. Each of these subdomains is extended so that data can be shared between adjacent processors for stencil computation. The added routines that make parallel execution possible are written in a modular fashion that makes the porting to new parallel platforms straight forward. Results of the distributed memory computing performance of Parallel simulator are presented for field scale applications such as tracer flood and polymer flood. A comparison of the wall-clock times for same problems on a vector supercomputer is also presented.« less

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

Publisher Correction: Western US volcanism due to intruding oceanic mantle driven by ancient Farallon slabs

NASA Astrophysics Data System (ADS)

Zhou, Quan; Liu, Lijun; Hu, Jiashun

2018-05-01

In the version of this Article originally published, data points representing mafic eruptions were missing from Fig. 4b, the corrected version is shown below. Furthermore, the authors omitted to include the following acknowledgements to the provider of the computational resources: "This research is part of the Blue Waters sustained-petascale computing project, which is supported by the National Science Foundation (awards OCI-0725070 and ACI-1238993) and the state of Illinois. Blue Waters is a joint effort of the University of Illinois at Urbana-Champaign and its National Center for Supercomputing Applications. This work is also part of the `PRAC Title 4-D Geodynamic Modeling With Data Assimilation: Origin Of Intra-Plate Volcanism In The Pacific Northwest' PRAC allocation support by the National Science Foundation (award number ACI 1516586). This work also used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACI-1548562." Figure 4 and the Acknowledgements section have been updated in the online version of the Article.

CFD lends the government a hand

NASA Technical Reports Server (NTRS)

Lekoudis, Spiro; Singleton, Robert E.; Mehta, Unmeel B.

1992-01-01

The present survey of important and novel CFD applications being developed and implemented by U.S. Government contractors gives attention to naval vessel flow-modeling, Army ballistic and rotary wing aerodynamics, and NASA hypersonic vehicle related applications of CFD. CFD-generated knowledge of numerical algorithms, fluid motion, and supercomputer use is being incorporated into such additional areas as computational electromagnetics and acoustics. Attention is presently given to CFD methods' development status in such fields as submarine boundary layers, hypersonic kinetic energy projectile shock structures, helicopter main rotor tip flows, and National Aerospace Plane aerothermodynamics.

The NAS parallel benchmarks

NASA Technical Reports Server (NTRS)

Bailey, D. H.; Barszcz, E.; Barton, J. T.; Carter, R. L.; Lasinski, T. A.; Browning, D. S.; Dagum, L.; Fatoohi, R. A.; Frederickson, P. O.; Schreiber, R. S.

1991-01-01

A new set of benchmarks has been developed for the performance evaluation of highly parallel supercomputers in the framework of the NASA Ames Numerical Aerodynamic Simulation (NAS) Program. These consist of five 'parallel kernel' benchmarks and three 'simulated application' benchmarks. Together they mimic the computation and data movement characteristics of large-scale computational fluid dynamics applications. The principal distinguishing feature of these benchmarks is their 'pencil and paper' specification-all details of these benchmarks are specified only algorithmically. In this way many of the difficulties associated with conventional benchmarking approaches on highly parallel systems are avoided.

Evaluating the networking characteristics of the Cray XC-40 Intel Knights Landing-based Cori supercomputer at NERSC

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

Doerfler, Douglas; Austin, Brian; Cook, Brandon

There are many potential issues associated with deploying the Intel Xeon Phi™ (code named Knights Landing [KNL]) manycore processor in a large-scale supercomputer. One in particular is the ability to fully utilize the high-speed communications network, given that the serial performance of a Xeon Phi TM core is a fraction of a Xeon®core. In this paper, we take a look at the trade-offs associated with allocating enough cores to fully utilize the Aries high-speed network versus cores dedicated to computation, e.g., the trade-off between MPI and OpenMP. In addition, we evaluate new features of Cray MPI in support of KNL,more » such as internode optimizations. We also evaluate one-sided programming models such as Unified Parallel C. We quantify the impact of the above trade-offs and features using a suite of National Energy Research Scientific Computing Center applications.« less

Preparing for in situ processing on upcoming leading-edge supercomputers

DOE PAGES

Kress, James; Churchill, Randy Michael; Klasky, Scott; ...

2016-10-01

High performance computing applications are producing increasingly large amounts of data and placing enormous stress on current capabilities for traditional post-hoc visualization techniques. Because of the growing compute and I/O imbalance, data reductions, including in situ visualization, are required. These reduced data are used for analysis and visualization in a variety of different ways. Many of he visualization and analysis requirements are known a priori, but when they are not, scientists are dependent on the reduced data to accurately represent the simulation in post hoc analysis. The contributions of this paper is a description of the directions we are pursuingmore » to assist a large scale fusion simulation code succeed on the next generation of supercomputers. Finally, these directions include the role of in situ processing for performing data reductions, as well as the tradeoffs between data size and data integrity within the context of complex operations in a typical scientific workflow.« less

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.

Massively parallel implementation of 3D-RISM calculation with volumetric 3D-FFT.

PubMed

Maruyama, Yutaka; Yoshida, Norio; Tadano, Hiroto; Takahashi, Daisuke; Sato, Mitsuhisa; Hirata, Fumio

2014-07-05

A new three-dimensional reference interaction site model (3D-RISM) program for massively parallel machines combined with the volumetric 3D fast Fourier transform (3D-FFT) was developed, and tested on the RIKEN K supercomputer. The ordinary parallel 3D-RISM program has a limitation on the number of parallelizations because of the limitations of the slab-type 3D-FFT. The volumetric 3D-FFT relieves this limitation drastically. We tested the 3D-RISM calculation on the large and fine calculation cell (2048(3) grid points) on 16,384 nodes, each having eight CPU cores. The new 3D-RISM program achieved excellent scalability to the parallelization, running on the RIKEN K supercomputer. As a benchmark application, we employed the program, combined with molecular dynamics simulation, to analyze the oligomerization process of chymotrypsin Inhibitor 2 mutant. The results demonstrate that the massive parallel 3D-RISM program is effective to analyze the hydration properties of the large biomolecular systems. Copyright © 2014 Wiley Periodicals, Inc.

Portable implementation model for CFD simulations. Application to hybrid CPU/GPU supercomputers

NASA Astrophysics Data System (ADS)

Oyarzun, Guillermo; Borrell, Ricard; Gorobets, Andrey; Oliva, Assensi

2017-10-01

Nowadays, high performance computing (HPC) systems experience a disruptive moment with a variety of novel architectures and frameworks, without any clarity of which one is going to prevail. In this context, the portability of codes across different architectures is of major importance. This paper presents a portable implementation model based on an algebraic operational approach for direct numerical simulation (DNS) and large eddy simulation (LES) of incompressible turbulent flows using unstructured hybrid meshes. The strategy proposed consists in representing the whole time-integration algorithm using only three basic algebraic operations: sparse matrix-vector product, a linear combination of vectors and dot product. The main idea is based on decomposing the nonlinear operators into a concatenation of two SpMV operations. This provides high modularity and portability. An exhaustive analysis of the proposed implementation for hybrid CPU/GPU supercomputers has been conducted with tests using up to 128 GPUs. The main objective consists in understanding the challenges of implementing CFD codes on new architectures.

Design applications for supercomputers

NASA Technical Reports Server (NTRS)

Studerus, C. J.

1987-01-01

The complexity of codes for solutions of real aerodynamic problems has progressed from simple two-dimensional models to three-dimensional inviscid and viscous models. As the algorithms used in the codes increased in accuracy, speed and robustness, the codes were steadily incorporated into standard design processes. The highly sophisticated codes, which provide solutions to the truly complex flows, require computers with large memory and high computational speed. The advent of high-speed supercomputers, such that the solutions of these complex flows become more practical, permits the introduction of the codes into the design system at an earlier stage. The results of several codes which either were already introduced into the design process or are rapidly in the process of becoming so, are presented. The codes fall into the area of turbomachinery aerodynamics and hypersonic propulsion. In the former category, results are presented for three-dimensional inviscid and viscous flows through nozzle and unducted fan bladerows. In the latter category, results are presented for two-dimensional inviscid and viscous flows for hypersonic vehicle forebodies and engine inlets.

Optimizing the Performance of Reactive Molecular Dynamics Simulations for Multi-core Architectures

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

Aktulga, Hasan Metin; Coffman, Paul; Shan, Tzu-Ray

2015-12-01

Hybrid parallelism allows high performance computing applications to better leverage the increasing on-node parallelism of modern supercomputers. In this paper, we present a hybrid parallel implementation of the widely used LAMMPS/ReaxC package, where the construction of bonded and nonbonded lists and evaluation of complex ReaxFF interactions are implemented efficiently using OpenMP parallelism. Additionally, the performance of the QEq charge equilibration scheme is examined and a dual-solver is implemented. We present the performance of the resulting ReaxC-OMP package on a state-of-the-art multi-core architecture Mira, an IBM BlueGene/Q supercomputer. For system sizes ranging from 32 thousand to 16.6 million particles, speedups inmore » the range of 1.5-4.5x are observed using the new ReaxC-OMP software. Sustained performance improvements have been observed for up to 262,144 cores (1,048,576 processes) of Mira with a weak scaling efficiency of 91.5% in larger simulations containing 16.6 million particles.« less

Scaling of Multimillion-Atom Biological Molecular Dynamics Simulation on a Petascale Supercomputer

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

Schulz, Roland; Lindner, Benjamin; Petridis, Loukas

2009-01-01

A strategy is described for a fast all-atom molecular dynamics simulation of multimillion-atom biological systems on massively parallel supercomputers. The strategy is developed using benchmark systems of particular interest to bioenergy research, comprising models of cellulose and lignocellulosic biomass in an aqueous solution. The approach involves using the reaction field (RF) method for the computation of long-range electrostatic interactions, which permits efficient scaling on many thousands of cores. Although the range of applicability of the RF method for biomolecular systems remains to be demonstrated, for the benchmark systems the use of the RF produces molecular dipole moments, Kirkwood G factors,more » other structural properties, and mean-square fluctuations in excellent agreement with those obtained with the commonly used Particle Mesh Ewald method. With RF, three million- and five million atom biological systems scale well up to 30k cores, producing 30 ns/day. Atomistic simulations of very large systems for time scales approaching the microsecond would, therefore, appear now to be within reach.« less

Scaling of Multimillion-Atom Biological Molecular Dynamics Simulation on a Petascale Supercomputer.

PubMed

Schulz, Roland; Lindner, Benjamin; Petridis, Loukas; Smith, Jeremy C

2009-10-13

A strategy is described for a fast all-atom molecular dynamics simulation of multimillion-atom biological systems on massively parallel supercomputers. The strategy is developed using benchmark systems of particular interest to bioenergy research, comprising models of cellulose and lignocellulosic biomass in an aqueous solution. The approach involves using the reaction field (RF) method for the computation of long-range electrostatic interactions, which permits efficient scaling on many thousands of cores. Although the range of applicability of the RF method for biomolecular systems remains to be demonstrated, for the benchmark systems the use of the RF produces molecular dipole moments, Kirkwood G factors, other structural properties, and mean-square fluctuations in excellent agreement with those obtained with the commonly used Particle Mesh Ewald method. With RF, three million- and five million-atom biological systems scale well up to ∼30k cores, producing ∼30 ns/day. Atomistic simulations of very large systems for time scales approaching the microsecond would, therefore, appear now to be within reach.

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)

Efficient development of memory bounded geo-applications to scale on modern supercomputers

NASA Astrophysics Data System (ADS)

Räss, Ludovic; Omlin, Samuel; Licul, Aleksandar; Podladchikov, Yuri; Herman, Frédéric

2016-04-01

Numerical modeling is an actual key tool in the area of geosciences. The current challenge is to solve problems that are multi-physics and for which the length scale and the place of occurrence might not be known in advance. Also, the spatial extend of the investigated domain might strongly vary in size, ranging from millimeters for reactive transport to kilometers for glacier erosion dynamics. An efficient way to proceed is to develop simple but robust algorithms that perform well and scale on modern supercomputers and permit therefore very high-resolution simulations. We propose an efficient approach to solve memory bounded real-world applications on modern supercomputers architectures. We optimize the software to run on our newly acquired state-of-the-art GPU cluster "octopus". Our approach shows promising preliminary results on important geodynamical and geomechanical problematics: we have developed a Stokes solver for glacier flow and a poromechanical solver including complex rheologies for nonlinear waves in stressed rocks porous rocks. We solve the system of partial differential equations on a regular Cartesian grid and use an iterative finite difference scheme with preconditioning of the residuals. The MPI communication happens only locally (point-to-point); this method is known to scale linearly by construction. The "octopus" GPU cluster, which we use for the computations, has been designed to achieve maximal data transfer throughput at minimal hardware cost. It is composed of twenty compute nodes, each hosting four Nvidia Titan X GPU accelerators. These high-density nodes are interconnected with a parallel (dual-rail) FDR InfiniBand network. Our efforts show promising preliminary results for the different physics investigated. The glacier flow solver achieves good accuracy in the relevant benchmarks and the coupled poromechanical solver permits to explain previously unresolvable focused fluid flow as a natural outcome of the porosity setup. In both cases, near peak memory bandwidth transfer is achieved. Our approach allows us to get the best out of the current hardware.

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.

Compilation of Abstracts for SC12 Conference Proceedings

NASA Technical Reports Server (NTRS)

Morello, Gina Francine (Compiler)

2012-01-01

1 A Breakthrough in Rotorcraft Prediction Accuracy Using Detached Eddy Simulation; 2 Adjoint-Based Design for Complex Aerospace Configurations; 3 Simulating Hypersonic Turbulent Combustion for Future Aircraft; 4 From a Roar to a Whisper: Making Modern Aircraft Quieter; 5 Modeling of Extended Formation Flight on High-Performance Computers; 6 Supersonic Retropropulsion for Mars Entry; 7 Validating Water Spray Simulation Models for the SLS Launch Environment; 8 Simulating Moving Valves for Space Launch System Liquid Engines; 9 Innovative Simulations for Modeling the SLS Solid Rocket Booster Ignition; 10 Solid Rocket Booster Ignition Overpressure Simulations for the Space Launch System; 11 CFD Simulations to Support the Next Generation of Launch Pads; 12 Modeling and Simulation Support for NASA's Next-Generation Space Launch System; 13 Simulating Planetary Entry Environments for Space Exploration Vehicles; 14 NASA Center for Climate Simulation Highlights; 15 Ultrascale Climate Data Visualization and Analysis; 16 NASA Climate Simulations and Observations for the IPCC and Beyond; 17 Next-Generation Climate Data Services: MERRA Analytics; 18 Recent Advances in High-Resolution Global Atmospheric Modeling; 19 Causes and Consequences of Turbulence in the Earths Protective Shield; 20 NASA Earth Exchange (NEX): A Collaborative Supercomputing Platform; 21 Powering Deep Space Missions: Thermoelectric Properties of Complex Materials; 22 Meeting NASA's High-End Computing Goals Through Innovation; 23 Continuous Enhancements to the Pleiades Supercomputer for Maximum Uptime; 24 Live Demonstrations of 100-Gbps File Transfers Across LANs and WANs; 25 Untangling the Computing Landscape for Climate Simulations; 26 Simulating Galaxies and the Universe; 27 The Mysterious Origin of Stellar Masses; 28 Hot-Plasma Geysers on the Sun; 29 Turbulent Life of Kepler Stars; 30 Modeling Weather on the Sun; 31 Weather on Mars: The Meteorology of Gale Crater; 32 Enhancing Performance of NASAs High-End Computing Applications; 33 Designing Curiosity's Perfect Landing on Mars; 34 The Search Continues: Kepler's Quest for Habitable Earth-Sized Planets.

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.

CRAY mini manual. Revision D

NASA Technical Reports Server (NTRS)

Tennille, Geoffrey M.; Howser, Lona M.

1993-01-01

This document briefly describes the use of the CRAY supercomputers that are an integral part of the Supercomputing Network Subsystem of the Central Scientific Computing Complex at LaRC. Features of the CRAY supercomputers are covered, including: FORTRAN, C, PASCAL, architectures of the CRAY-2 and CRAY Y-MP, the CRAY UNICOS environment, batch job submittal, debugging, performance analysis, parallel processing, utilities unique to CRAY, and documentation. The document is intended for all CRAY users as a ready reference to frequently asked questions and to more detailed information contained in the vendor manuals. It is appropriate for both the novice and the experienced user.

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.

Algorithm implementation on the Navier-Stokes computer

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

Krist, S.E.; Zang, T.A.

1987-03-01

The Navier-Stokes Computer is a multi-purpose parallel-processing supercomputer which is currently under development at Princeton University. It consists of multiple local memory parallel processors, called Nodes, which are interconnected in a hypercube network. Details of the procedures involved in implementing an algorithm on the Navier-Stokes computer are presented. The particular finite difference algorithm considered in this analysis was developed for simulation of laminar-turbulent transition in wall bounded shear flows. Projected timing results for implementing this algorithm indicate that operation rates in excess of 42 GFLOPS are feasible on a 128 Node machine.

Algorithm implementation on the Navier-Stokes computer

NASA Technical Reports Server (NTRS)

Krist, Steven E.; Zang, Thomas A.

1987-01-01

The Navier-Stokes Computer is a multi-purpose parallel-processing supercomputer which is currently under development at Princeton University. It consists of multiple local memory parallel processors, called Nodes, which are interconnected in a hypercube network. Details of the procedures involved in implementing an algorithm on the Navier-Stokes computer are presented. The particular finite difference algorithm considered in this analysis was developed for simulation of laminar-turbulent transition in wall bounded shear flows. Projected timing results for implementing this algorithm indicate that operation rates in excess of 42 GFLOPS are feasible on a 128 Node machine.

Some recent applications of Navier-Stokes codes to rotorcraft

NASA Technical Reports Server (NTRS)

Mccroskey, W. J.

1992-01-01

Many operational limitations of helicopters and other rotary-wing aircraft are due to nonlinear aerodynamic phenomena incuding unsteady, three-dimensional transonic and separated flow near the surfaces and highly vortical flow in the wakes of rotating blades. Modern computational fluid dynamics (CFD) technology offers new tools to study and simulate these complex flows. However, existing Euler and Navier-Stokes codes have to be modified significantly for rotorcraft applications, and the enormous computational requirements presently limit their use in routine design applications. Nevertheless, the Euler/Navier-Stokes technology is progressing in anticipation of future supercomputers that will enable meaningful calculations to be made for complete rotorcraft configurations.

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

Performance Analysis and Scaling Behavior of the Terrestrial Systems Modeling Platform TerrSysMP in Large-Scale Supercomputing Environments

NASA Astrophysics Data System (ADS)

Kollet, S. J.; Goergen, K.; Gasper, F.; Shresta, P.; Sulis, M.; Rihani, J.; Simmer, C.; Vereecken, H.

2013-12-01

In studies of the terrestrial hydrologic, energy and biogeochemical cycles, integrated multi-physics simulation platforms take a central role in characterizing non-linear interactions, variances and uncertainties of system states and fluxes in reciprocity with observations. Recently developed integrated simulation platforms attempt to honor the complexity of the terrestrial system across multiple time and space scales from the deeper subsurface including groundwater dynamics into the atmosphere. Technically, this requires the coupling of atmospheric, land surface, and subsurface-surface flow models in supercomputing environments, while ensuring a high-degree of efficiency in the utilization of e.g., standard Linux clusters and massively parallel resources. A systematic performance analysis including profiling and tracing in such an application is crucial in the understanding of the runtime behavior, to identify optimum model settings, and is an efficient way to distinguish potential parallel deficiencies. On sophisticated leadership-class supercomputers, such as the 28-rack 5.9 petaFLOP IBM Blue Gene/Q 'JUQUEEN' of the Jülich Supercomputing Centre (JSC), this is a challenging task, but even more so important, when complex coupled component models are to be analysed. Here we want to present our experience from coupling, application tuning (e.g. 5-times speedup through compiler optimizations), parallel scaling and performance monitoring of the parallel Terrestrial Systems Modeling Platform TerrSysMP. The modeling platform consists of the weather prediction system COSMO of the German Weather Service; the Community Land Model, CLM of NCAR; and the variably saturated surface-subsurface flow code ParFlow. The model system relies on the Multiple Program Multiple Data (MPMD) execution model where the external Ocean-Atmosphere-Sea-Ice-Soil coupler (OASIS3) links the component models. TerrSysMP has been instrumented with the performance analysis tool Scalasca and analyzed on JUQUEEN with processor counts on the order of 10,000. The instrumentation is used in weak and strong scaling studies with real data cases and hypothetical idealized numerical experiments for detailed profiling and tracing analysis. The profiling is not only useful in identifying wait states that are due to the MPMD execution model, but also in fine-tuning resource allocation to the component models in search of the most suitable load balancing. This is especially necessary, as with numerical experiments that cover multiple (high resolution) spatial scales, the time stepping, coupling frequencies, and communication overheads are constantly shifting, which makes it necessary to re-determine the model setup with each new experimental design.

Performance Analysis, Modeling and Scaling of HPC Applications and Tools

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

Bhatele, Abhinav

2016-01-13

E cient use of supercomputers at DOE centers is vital for maximizing system throughput, mini- mizing energy costs and enabling science breakthroughs faster. This requires complementary e orts along several directions to optimize the performance of scienti c simulation codes and the under- lying runtimes and software stacks. This in turn requires providing scalable performance analysis tools and modeling techniques that can provide feedback to physicists and computer scientists developing the simulation codes and runtimes respectively. The PAMS project is using time allocations on supercomputers at ALCF, NERSC and OLCF to further the goals described above by performing research alongmore » the following fronts: 1. Scaling Study of HPC applications; 2. Evaluation of Programming Models; 3. Hardening of Performance Tools; 4. Performance Modeling of Irregular Codes; and 5. Statistical Analysis of Historical Performance Data. We are a team of computer and computational scientists funded by both DOE/NNSA and DOE/ ASCR programs such as ECRP, XStack (Traleika Glacier, PIPER), ExaOSR (ARGO), SDMAV II (MONA) and PSAAP II (XPACC). This allocation will enable us to study big data issues when analyzing performance on leadership computing class systems and to assist the HPC community in making the most e ective use of these resources.« less

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.

Towards the Interoperability of Web, Database, and Mass Storage Technologies for Petabyte Archives

NASA Technical Reports Server (NTRS)

Moore, Reagan; Marciano, Richard; Wan, Michael; Sherwin, Tom; Frost, Richard

1996-01-01

At the San Diego Supercomputer Center, a massive data analysis system (MDAS) is being developed to support data-intensive applications that manipulate terabyte sized data sets. The objective is to support scientific application access to data whether it is located at a Web site, stored as an object in a database, and/or storage in an archival storage system. We are developing a suite of demonstration programs which illustrate how Web, database (DBMS), and archival storage (mass storage) technologies can be integrated. An application presentation interface is being designed that integrates data access to all of these sources. We have developed a data movement interface between the Illustra object-relational database and the NSL UniTree archival storage system running in a production mode at the San Diego Supercomputer Center. With this interface, an Illustra client can transparently access data on UniTree under the control of the Illustr DBMS server. The current implementation is based on the creation of a new DBMS storage manager class, and a set of library functions that allow the manipulation and migration of data stored as Illustra 'large objects'. We have extended this interface to allow a Web client application to control data movement between its local disk, the Web server, the DBMS Illustra server, and the UniTree mass storage environment. This paper describes some of the current approaches successfully integrating these technologies. This framework is measured against a representative sample of environmental data extracted from the San Diego Ba Environmental Data Repository. Practical lessons are drawn and critical research areas are highlighted.

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.

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.

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.

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.

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.

Adapting NBODY4 with a GRAPE-6a Supercomputer for Web Access, Using NBodyLab

NASA Astrophysics Data System (ADS)

Johnson, V.; Aarseth, S.

2006-07-01

A demonstration site has been developed by the authors that enables researchers and students to experiment with the capabilities and performance of NBODY4 running on a GRAPE-6a over the web. NBODY4 is a sophisticated open-source N-body code for high accuracy simulations of dense stellar systems (Aarseth 2003). In 2004, NBODY4 was successfully tested with a GRAPE-6a, yielding an unprecedented low-cost tool for astrophysical research. The GRAPE-6a is a supercomputer card developed by astrophysicists to accelerate high accuracy N-body simulations with a cluster or a desktop PC (Fukushige et al. 2005, Makino & Taiji 1998). The GRAPE-6a card became commercially available in 2004, runs at 125 Gflops peak, has a standard PCI interface and costs less than 10,000. Researchers running the widely used NBODY6 (which does not require GRAPE hardware) can compare their own PC or laptop performance with simulations run on http://www.NbodyLab.org. Such comparisons may help justify acquisition of a GRAPE-6a. For workgroups such as university physics or astronomy departments, the demonstration site may be replicated or serve as a model for a shared computing resource. The site was constructed using an NBodyLab server-side framework.

The feasibility of an efficient drug design method with high-performance computers.

PubMed

Yamashita, Takefumi; Ueda, Akihiko; Mitsui, Takashi; Tomonaga, Atsushi; Matsumoto, Shunji; Kodama, Tatsuhiko; Fujitani, Hideaki

2015-01-01

In this study, we propose a supercomputer-assisted drug design approach involving all-atom molecular dynamics (MD)-based binding free energy prediction after the traditional design/selection step. Because this prediction is more accurate than the empirical binding affinity scoring of the traditional approach, the compounds selected by the MD-based prediction should be better drug candidates. In this study, we discuss the applicability of the new approach using two examples. Although the MD-based binding free energy prediction has a huge computational cost, it is feasible with the latest 10 petaflop-scale computer. The supercomputer-assisted drug design approach also involves two important feedback procedures: The first feedback is generated from the MD-based binding free energy prediction step to the drug design step. While the experimental feedback usually provides binding affinities of tens of compounds at one time, the supercomputer allows us to simultaneously obtain the binding free energies of hundreds of compounds. Because the number of calculated binding free energies is sufficiently large, the compounds can be classified into different categories whose properties will aid in the design of the next generation of drug candidates. The second feedback, which occurs from the experiments to the MD simulations, is important to validate the simulation parameters. To demonstrate this, we compare the binding free energies calculated with various force fields to the experimental ones. The results indicate that the prediction will not be very successful, if we use an inaccurate force field. By improving/validating such simulation parameters, the next prediction can be made more accurate.

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.

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.

A parallel algorithm for generation and assembly of finite element stiffness and mass matrices

NASA Technical Reports Server (NTRS)

Storaasli, O. O.; Carmona, E. A.; Nguyen, D. T.; Baddourah, M. A.

1991-01-01

A new algorithm is proposed for parallel generation and assembly of the finite element stiffness and mass matrices. The proposed assembly algorithm is based on a node-by-node approach rather than the more conventional element-by-element approach. The new algorithm's generality and computation speed-up when using multiple processors are demonstrated for several practical applications on multi-processor Cray Y-MP and Cray 2 supercomputers.

Monthly average polar sea-ice concentration

USGS Publications Warehouse

Schweitzer, Peter N.

1995-01-01

The data contained in this CD-ROM depict monthly averages of sea-ice concentration in the modern polar oceans. These averages were derived from the Scanning Multichannel Microwave Radiometer (SMMR) and Special Sensor Microwave/Imager (SSM/I) instruments aboard satellites of the U.S. Air Force Defense Meteorological Satellite Program from 1978 through 1992. The data are provided as 8-bit images using the Hierarchical Data Format (HDF) developed by the National Center for Supercomputing Applications.

MODA A Framework for Memory Centric Performance Characterization

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

Shrestha, Sunil; Su, Chun-Yi; White, Amanda M.

2012-06-29

In the age of massive parallelism, the focus of performance analysis has switched from the processor and related structures to the memory and I/O resources. Adapting to this new reality, a performance analysis tool has to provide a way to analyze resource usage to pinpoint existing and potential problems in a given application. This paper provides an overview of the Memory Observant Data Analysis (MODA) tool, a memory-centric tool first implemented on the Cray XMT supercomputer. Throughout the paper, MODA's capabilities have been showcased with experiments done on matrix multiply and Graph-500 application codes.

NAS: The first year

NASA Technical Reports Server (NTRS)

Bailey, F. R.; Kutler, Paul

1988-01-01

Discussed are the capabilities of NASA's Numerical Aerodynamic Simulation (NAS) Program and its application as an advanced supercomputing system for computational fluid dynamics (CFD) research. First, the paper describes the NAS computational system, called the NAS Processing System Network, and the advanced computational capabilities it offers as a consequence of carrying out the NAS pathfinder objective. Second, it presents examples of pioneering CFD research accomplished during NAS's first operational year. Examples are included which illustrate CFD applications for predicting fluid phenomena, complementing and supplementing experimentation, and aiding in design. Finally, pacing elements and future directions for CFD and NAS are discussed.

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…

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.

Radio Synthesis Imaging - A High Performance Computing and Communications Project

NASA Astrophysics Data System (ADS)

Crutcher, Richard M.

The National Science Foundation has funded a five-year High Performance Computing and Communications project at the National Center for Supercomputing Applications (NCSA) for the direct implementation of several of the computing recommendations of the Astronomy and Astrophysics Survey Committee (the "Bahcall report"). This paper is a summary of the project goals and a progress report. The project will implement a prototype of the next generation of astronomical telescope systems - remotely located telescopes connected by high-speed networks to very high performance, scalable architecture computers and on-line data archives, which are accessed by astronomers over Gbit/sec networks. Specifically, a data link has been installed between the BIMA millimeter-wave synthesis array at Hat Creek, California and NCSA at Urbana, Illinois for real-time transmission of data to NCSA. Data are automatically archived, and may be browsed and retrieved by astronomers using the NCSA Mosaic software. In addition, an on-line digital library of processed images will be established. BIMA data will be processed on a very high performance distributed computing system, with I/O, user interface, and most of the software system running on the NCSA Convex C3880 supercomputer or Silicon Graphics Onyx workstations connected by HiPPI to the high performance, massively parallel Thinking Machines Corporation CM-5. The very computationally intensive algorithms for calibration and imaging of radio synthesis array observations will be optimized for the CM-5 and new algorithms which utilize the massively parallel architecture will be developed. Code running simultaneously on the distributed computers will communicate using the Data Transport Mechanism developed by NCSA. The project will also use the BLANCA Gbit/s testbed network between Urbana and Madison, Wisconsin to connect an Onyx workstation in the University of Wisconsin Astronomy Department to the NCSA CM-5, for development of long-distance distributed computing. Finally, the project is developing 2D and 3D visualization software as part of the international AIPS++ project. This research and development project is being carried out by a team of experts in radio astronomy, algorithm development for massively parallel architectures, high-speed networking, database management, and Thinking Machines Corporation personnel. The development of this complete software, distributed computing, and data archive and library solution to the radio astronomy computing problem will advance our expertise in high performance computing and communications technology and the application of these techniques to astronomical data processing.

Adapting the serial Alpgen parton-interaction generator to simulate LHC collisions on millions of parallel threads

NASA Astrophysics Data System (ADS)

Childers, J. T.; Uram, T. D.; LeCompte, T. J.; Papka, M. E.; Benjamin, D. P.

2017-01-01

As the LHC moves to higher energies and luminosity, the demand for computing resources increases accordingly and will soon outpace the growth of the Worldwide LHC Computing Grid. To meet this greater demand, event generation Monte Carlo was targeted for adaptation to run on Mira, the supercomputer at the Argonne Leadership Computing Facility. Alpgen is a Monte Carlo event generation application that is used by LHC experiments in the simulation of collisions that take place in the Large Hadron Collider. This paper details the process by which Alpgen was adapted from a single-processor serial-application to a large-scale parallel-application and the performance that was achieved.

High Performance Computing Software Applications for Space Situational Awareness

NASA Astrophysics Data System (ADS)

Giuliano, C.; Schumacher, P.; Matson, C.; Chun, F.; Duncan, B.; Borelli, K.; Desonia, R.; Gusciora, G.; Roe, K.

The High Performance Computing Software Applications Institute for Space Situational Awareness (HSAI-SSA) has completed its first full year of applications development. The emphasis of our work in this first year was in improving space surveillance sensor models and image enhancement software. These applications are the Space Surveillance Network Analysis Model (SSNAM), the Air Force Space Fence simulation (SimFence), and physically constrained iterative de-convolution (PCID) image enhancement software tool. Specifically, we have demonstrated order of magnitude speed-up in those codes running on the latest Cray XD-1 Linux supercomputer (Hoku) at the Maui High Performance Computing Center. The software applications improvements that HSAI-SSA has made, has had significant impact to the warfighter and has fundamentally changed the role of high performance computing in SSA.

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

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.

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

High Resolution Aerospace Applications using the NASA Columbia Supercomputer

NASA Technical Reports Server (NTRS)

Mavriplis, Dimitri J.; Aftosmis, Michael J.; Berger, Marsha

2005-01-01

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

Magnetosphere simulations with a high-performance 3D AMR MHD Code

NASA Astrophysics Data System (ADS)

Gombosi, Tamas; Dezeeuw, Darren; Groth, Clinton; Powell, Kenneth; Song, Paul

1998-11-01

BATS-R-US is a high-performance 3D AMR MHD code for space physics applications running on massively parallel supercomputers. In BATS-R-US the electromagnetic and fluid equations are solved with a high-resolution upwind numerical scheme in a tightly coupled manner. The code is very robust and it is capable of spanning a wide range of plasma parameters (such as β, acoustic and Alfvénic Mach numbers). Our code is highly scalable: it achieved a sustained performance of 233 GFLOPS on a Cray T3E-1200 supercomputer with 1024 PEs. This talk reports results from the BATS-R-US code for the GGCM (Geospace General Circularculation Model) Phase 1 Standard Model Suite. This model suite contains 10 different steady-state configurations: 5 IMF clock angles (north, south, and three equally spaced angles in- between) with 2 IMF field strengths for each angle (5 nT and 10 nT). The other parameters are: solar wind speed =400 km/sec; solar wind number density = 5 protons/cc; Hall conductance = 0; Pedersen conductance = 5 S; parallel conductivity = ∞.

Large-Scale NASA Science Applications on the Columbia Supercluster

NASA Technical Reports Server (NTRS)

Brooks, Walter

2005-01-01

Columbia, NASA's newest 61 teraflops supercomputer that became operational late last year, is a highly integrated Altix cluster of 10,240 processors, and was named to honor the crew of the Space Shuttle lost in early 2003. Constructed in just four months, Columbia increased NASA's computing capability ten-fold, and revitalized the Agency's high-end computing efforts. Significant cutting-edge science and engineering simulations in the areas of space and Earth sciences, as well as aeronautics and space operations, are already occurring on this largest operational Linux supercomputer, demonstrating its capacity and capability to accelerate NASA's space exploration vision. The presentation will describe how an integrated environment consisting not only of next-generation systems, but also modeling and simulation, high-speed networking, parallel performance optimization, and advanced data analysis and visualization, is being used to reduce design cycle time, accelerate scientific discovery, conduct parametric analysis of multiple scenarios, and enhance safety during the life cycle of NASA missions. The talk will conclude by discussing how NAS partnered with various NASA centers, other government agencies, computer industry, and academia, to create a national resource in large-scale modeling and simulation.

A new understanding of inert gas narcosis

NASA Astrophysics Data System (ADS)

Meng, Zhang; Yi, Gao; Haiping, Fang

2016-01-01

Anesthetics are extremely important in modern surgery to greatly reduce the patient’s pain. The understanding of anesthesia at molecular level is the preliminary step for the application of anesthetics in clinic safely and effectively. Inert gases, with low chemical activity, have been found to cause anesthesia for centuries, but the mechanism is unclear yet. In this review, we first summarize the progress of theories about general anesthesia, especially for inert gas narcosis, and then propose a new hypothesis that the aggregated rather than the dispersed inert gas molecules are the key to trigger the narcosis to explain the steep dose-response relationship of anesthesia. Project supported by the Supercomputing Center of Chinese Academy of Sciences in Beijing, China, the Shanghai Supercomputer Center, China, the National Natural Science Foundation of China (Grant Nos. 21273268, 11290164, and 11175230), the Startup Funding from Shanghai Institute of Applied Physics, Chinese Academy of Sciences (Grant No. Y290011011), “Hundred People Project” from Chinese Academy of Sciences, and “Pu-jiang Rencai Project” from Science and Technology Commission of Shanghai Municipality, China (Grant No. 13PJ1410400).

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.

Federated data storage and management infrastructure

NASA Astrophysics Data System (ADS)

Zarochentsev, A.; Kiryanov, A.; Klimentov, A.; Krasnopevtsev, D.; Hristov, P.

2016-10-01

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. Computing models for the High Luminosity LHC era anticipate a growth of storage needs of at least orders of magnitude; it will require new approaches in data storage organization and data handling. In our project we address the fundamental problem of designing of architecture to integrate a distributed heterogeneous disk resources for LHC experiments and other data- intensive science applications and to provide access to data from heterogeneous computing facilities. We have prototyped a federated storage for Russian T1 and T2 centers located in Moscow, St.-Petersburg and Gatchina, as well as Russian / CERN federation. We have conducted extensive tests of underlying network infrastructure and storage endpoints with synthetic performance measurement tools as well as with HENP-specific workloads, including the ones running on supercomputing platform, cloud computing and Grid for ALICE and ATLAS experiments. We will present our current accomplishments with running LHC data analysis remotely and locally to demonstrate our ability to efficiently use federated data storage experiment wide within National Academic facilities for High Energy and Nuclear Physics as well as for other data-intensive science applications, such as bio-informatics.

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

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.

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.

A survey of parallel programming tools

NASA Technical Reports Server (NTRS)

Cheng, Doreen Y.

1991-01-01

This survey examines 39 parallel programming tools. Focus is placed on those tool capabilites needed for parallel scientific programming rather than for general computer science. The tools are classified with current and future needs of Numerical Aerodynamic Simulator (NAS) in mind: existing and anticipated NAS supercomputers and workstations; operating systems; programming languages; and applications. They are divided into four categories: suggested acquisitions, tools already brought in; tools worth tracking; and tools eliminated from further consideration at this time.

Algorithms for the Euler and Navier-Stokes equations for supercomputers

NASA Technical Reports Server (NTRS)

Turkel, E.

1985-01-01

The steady state Euler and Navier-Stokes equations are considered for both compressible and incompressible flow. Methods are found for accelerating the convergence to a steady state. This acceleration is based on preconditioning the system so that it is no longer time consistent. In order that the acceleration technique be scheme-independent, this preconditioning is done at the differential equation level. Applications are presented for very slow flows and also for the incompressible equations.

Air Force Maui Optical and Supercomputing Site (AMOS) Application Briefs 2004

DTIC Science & Technology

2004-01-01

Respondents should be aware that notwithstanding any other provision of law, no person shall be subject to a penalty for failing to comply with a collection...17. LIMITATION OF ABSTRACT Same as Report (SAR) 18. NUMBER OF PAGES 60 19a. NAME OF RESPONSIBLE PERSON a. REPORT unclassified b. ABSTRACT...SOR methods, the work in parallel matrix iterative methods is very relevant to the parallelization of a CA. The Moore neighborhood used in this work

Chemical calculations on Cray computers

NASA Technical Reports Server (NTRS)

Taylor, Peter R.; Bauschlicher, Charles W., Jr.; Schwenke, David W.

1989-01-01

The influence of recent developments in supercomputing on computational chemistry is discussed with particular reference to Cray computers and their pipelined vector/limited parallel architectures. After reviewing Cray hardware and software the performance of different elementary program structures are examined, and effective methods for improving program performance are outlined. The computational strategies appropriate for obtaining optimum performance in applications to quantum chemistry and dynamics are discussed. Finally, some discussion is given of new developments and future hardware and software improvements.

Challenges and opportunities of cloud computing for atmospheric sciences

NASA Astrophysics Data System (ADS)

Pérez Montes, Diego A.; Añel, Juan A.; Pena, Tomás F.; Wallom, David C. H.

2016-04-01

Cloud computing is an emerging technological solution widely used in many fields. Initially developed as a flexible way of managing peak demand it has began to make its way in scientific research. One of the greatest advantages of cloud computing for scientific research is independence of having access to a large cyberinfrastructure to fund or perform a research project. Cloud computing can avoid maintenance expenses for large supercomputers and has the potential to 'democratize' the access to high-performance computing, giving flexibility to funding bodies for allocating budgets for the computational costs associated with a project. Two of the most challenging problems in atmospheric sciences are computational cost and uncertainty in meteorological forecasting and climate projections. Both problems are closely related. Usually uncertainty can be reduced with the availability of computational resources to better reproduce a phenomenon or to perform a larger number of experiments. Here we expose results of the application of cloud computing resources for climate modeling using cloud computing infrastructures of three major vendors and two climate models. We show how the cloud infrastructure compares in performance to traditional supercomputers and how it provides the capability to complete experiments in shorter periods of time. The monetary cost associated is also analyzed. Finally we discuss the future potential of this technology for meteorological and climatological applications, both from the point of view of operational use and research.

Constructing a Foundational Platform Driven by Japan's K Supercomputer for Next-Generation Drug Design.

PubMed

Brown, J B; Nakatsui, Masahiko; Okuno, Yasushi

2014-12-01

The cost of pharmaceutical R&D has risen enormously, both worldwide and in Japan. However, Japan faces a particularly difficult situation in that its population is aging rapidly, and the cost of pharmaceutical R&D affects not only the industry but the entire medical system as well. To attempt to reduce costs, the newly launched K supercomputer is available for big data drug discovery and structural simulation-based drug discovery. We have implemented both primary (direct) and secondary (infrastructure, data processing) methods for the two types of drug discovery, custom tailored to maximally use the 88 128 compute nodes/CPUs of K, and evaluated the implementations. We present two types of results. In the first, we executed the virtual screening of nearly 19 billion compound-protein interactions, and calculated the accuracy of predictions against publicly available experimental data. In the second investigation, we implemented a very computationally intensive binding free energy algorithm, and found that comparison of our binding free energies was considerably accurate when validated against another type of publicly available experimental data. The common feature of both result types is the scale at which computations were executed. The frameworks presented in this article provide prospectives and applications that, while tuned to the computing resources available in Japan, are equally applicable to any equivalent large-scale infrastructure provided elsewhere. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Extrasolar worlds: We should contact aliens?

NASA Astrophysics Data System (ADS)

Kotov, V. A.

2013-06-01

More than 840 exoplanets have been discovered and many people believe that on some of these planets there may be extraterrestrial civilizations. Astronomers, however, warn against contacts with aliens because of the possible dangers to humankind… In this paper I show that the solar system is a unique phenomenon in the universe and there cannot be any extraterrestrial civilizations. Being the "anthropic center" of the world, the earth and the sun are "designed" for the development of humankind and the cosmos as a supercomputer. This conclusion follows from an analysis of exoplanet orbits that is based on a coherent cosmic oscillation with a period of P 0 ≈ 9600.6 s (discovered in the sun and some extragalactic sources). The non-Doppler nature of the P 0 phenomenon is emphasized; this phenomenon appears to be related to the absolute time of the universe in the Newtonian sense.

Lighting the universe with filaments.

PubMed

Gao, Liang; Theuns, Tom

2007-09-14

The first stars in the universe form when chemically pristine gas heats as it falls into dark-matter potential wells, cools radiatively because of the formation of molecular hydrogen, and becomes self-gravitating. Using supercomputer simulations, we demonstrated that the stars' properties depend critically on the currently unknown nature of the dark matter. If the dark-matter particles have intrinsic velocities that wipe out small-scale structure, then the first stars form in filaments with lengths on the order of the free-streaming scale, which can be approximately 10(20) meters (approximately 3 kiloparsecs, corresponding to a baryonic mass of approximately 10(7) solar masses) for realistic "warm dark matter" candidates. Fragmentation of the filaments forms stars with a range of masses, which may explain the observed peculiar element abundance pattern of extremely metal-poor stars, whereas coalescence of fragments and stars during the filament's ultimate collapse may seed the supermassive black holes that lurk in the centers of most massive galaxies.

Molecular dynamics as a foundation for flux prediction through nanoporous membranes: A vectorized, constraint-free approach to conservative simulations

NASA Astrophysics Data System (ADS)

Inman, Matthew Clay

A novel, open-cathode direct methanol fuel cell (DMFC ) has been designed and built by researchers at the University of North Florida and University of Florida. Foremost among the advances of this system over previous DMFC architectures is a passive water recovery system which allows product water to replenish that consumed at the anode. This is enabled by a specially-designed water pathway combined with a liquid barrier layer (LBL ). The LBL membrane is positioned between the cathode catalyst layer and the cathode gas diffusion layer, and must exhibit high permeability and low diffusive resistance to both oxygen and water vapor, bulk hydrophobicity to hold back the product liquid water, and must remain electrically conductive. Maintaining water balance at optimum operating temperatures is problematic with the current LBL design, forcing the system to run at lower temperatures decreasing the overall system efficiency. This research presents a novel approach to nanoporous membrane design whereby flux of a given species is determined based upon the molecular properties of said species and those of the diffusing medium, the pore geometry, and the membrane thickness. A molecular dynamics (MD ) model is developed for tracking Knudsen regime flows of a Lennard-Jones (LJ ) fluid through an atomistic pore structure, hundreds of thousands of wall collision simulations are performed on the University of Florida HiPerGator supercomputer, and the generated trajectory information is used to develop number density and axial velocity profiles for use in a rigorous approach to total flux calculation absent in previously attempted MD models. Results are compared to other published approaches and diffusion data available in the literature. The impact of this study on various applications of membrane design is discussed and additional simulations and model improvements are outlined for future consideration.

A report documenting the completion of the Los Alamos National Laboratory portion of the ASC level II milestone ""Visualization on the supercomputing platform

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

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

2011-01-24

This report provides documentation for the completion of the Los Alamos portion of the ASC Level II 'Visualization on the Supercomputing Platform' milestone. This ASC Level II milestone is a joint milestone between Sandia National Laboratory and Los Alamos National Laboratory. The milestone text is shown in Figure 1 with the Los Alamos portions highlighted in boldfaced text. Visualization and analysis of petascale data is limited by several factors which must be addressed as ACES delivers the Cielo platform. Two primary difficulties are: (1) Performance of interactive rendering, which is the most computationally intensive portion of the visualization process. Formore » terascale platforms, commodity clusters with graphics processors (GPUs) have been used for interactive rendering. For petascale platforms, visualization and rendering may be able to run efficiently on the supercomputer platform itself. (2) I/O bandwidth, which limits how much information can be written to disk. If we simply analyze the sparse information that is saved to disk we miss the opportunity to analyze the rich information produced every timestep by the simulation. For the first issue, we are pursuing in-situ analysis, in which simulations are coupled directly with analysis libraries at runtime. This milestone will evaluate the visualization and rendering performance of current and next generation supercomputers in contrast to GPU-based visualization clusters, and evaluate the perfromance of common analysis libraries coupled with the simulation that analyze and write data to disk during a running simulation. This milestone will explore, evaluate and advance the maturity level of these technologies and their applicability to problems of interest to the ASC program. In conclusion, we improved CPU-based rendering performance by a a factor of 2-10 times on our tests. In addition, we evaluated CPU and CPU-based rendering performance. We encourage production visualization experts to consider using CPU-based rendering solutions when it is appropriate. For example, on remote supercomputers CPU-based rendering can offer a means of viewing data without having to offload the data or geometry onto a CPU-based visualization system. In terms of comparative performance of the CPU and CPU we believe that further optimizations of the performance of both CPU or CPU-based rendering are possible. The simulation community is currently confronting this reality as they work to port their simulations to different hardware architectures. What is interesting about CPU rendering of massive datasets is that for part two decades CPU performance has significantly outperformed CPU-based systems. Based on our advancements, evaluations and explorations we believe that CPU-based rendering has returned as one viable option for the visualization of massive datasets.« less

On the ``optimal'' spatial distribution and directional anisotropy of the filter-width and grid-resolution in large eddy simulation

NASA Astrophysics Data System (ADS)

Toosi, Siavash; Larsson, Johan

2017-11-01

The accuracy of an LES depends directly on the accuracy of the resolved part of the turbulence. The continuing increase in computational power enables the application of LES to increasingly complex flow problems for which the LES community lacks the experience of knowing what the ``optimal'' or even an ``acceptable'' grid (or equivalently filter-width distribution) is. The goal of this work is to introduce a systematic approach to finding the ``optimal'' grid/filter-width distribution and their ``optimal'' anisotropy. The method is tested first on the turbulent channel flow, mainly to see if it is able to predict the right anisotropy of the filter/grid, and then on the more complicated case of flow over a backward-facing step, to test its ability to predict the right distribution and anisotropy of the filter/grid simultaneously, hence leading to a converged solution. This work has been supported by the Naval Air Warfare Center Aircraft Division at Pax River, MD, under contract N00421132M021. Computing time has been provided by the University of Maryland supercomputing resources (http://hpcc.umd.edu).

CAD-Based Shielding Analysis for ITER Port Diagnostics

NASA Astrophysics Data System (ADS)

Serikov, Arkady; Fischer, Ulrich; Anthoine, David; Bertalot, Luciano; De Bock, Maartin; O'Connor, Richard; Juarez, Rafael; Krasilnikov, Vitaly

2017-09-01

Radiation shielding analysis conducted in support of design development of the contemporary diagnostic systems integrated inside the ITER ports is relied on the use of CAD models. This paper presents the CAD-based MCNP Monte Carlo radiation transport and activation analyses for the Diagnostic Upper and Equatorial Port Plugs (UPP #3 and EPP #8, #17). The creation process of the complicated 3D MCNP models of the diagnostics systems was substantially accelerated by application of the CAD-to-MCNP converter programs MCAM and McCad. High performance computing resources of the Helios supercomputer allowed to speed-up the MCNP parallel transport calculations with the MPI/OpenMP interface. The found shielding solutions could be universal, reducing ports R&D costs. The shield block behind the Tritium and Deposit Monitor (TDM) optical box was added to study its influence on Shut-Down Dose Rate (SDDR) in Port Interspace (PI) of EPP#17. Influence of neutron streaming along the Lost Alpha Monitor (LAM) on the neutron energy spectra calculated in the Tangential Neutron Spectrometer (TNS) of EPP#8. For the UPP#3 with Charge eXchange Recombination Spectroscopy (CXRS-core), an excessive neutron streaming along the CXRS shutter, which should be prevented in further design iteration.

Fast and Accurate Simulation of the Cray XMT Multithreaded Supercomputer

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

Villa, Oreste; Tumeo, Antonino; Secchi, Simone

Irregular applications, such as data mining and analysis or graph-based computations, show unpredictable memory/network access patterns and control structures. Highly multithreaded architectures with large processor counts, like the Cray MTA-1, MTA-2 and XMT, appear to address their requirements better than commodity clusters. However, the research on highly multithreaded systems is currently limited by the lack of adequate architectural simulation infrastructures due to issues such as size of the machines, memory footprint, simulation speed, accuracy and customization. At the same time, Shared-memory MultiProcessors (SMPs) with multi-core processors have become an attractive platform to simulate large scale machines. In this paper, wemore » introduce a cycle-level simulator of the highly multithreaded Cray XMT supercomputer. The simulator runs unmodified XMT applications. We discuss how we tackled the challenges posed by its development, detailing the techniques introduced to make the simulation as fast as possible while maintaining a high accuracy. By mapping XMT processors (ThreadStorm with 128 hardware threads) to host computing cores, the simulation speed remains constant as the number of simulated processors increases, up to the number of available host cores. The simulator supports zero-overhead switching among different accuracy levels at run-time and includes a network model that takes into account contention. On a modern 48-core SMP host, our infrastructure simulates a large set of irregular applications 500 to 2000 times slower than real time when compared to a 128-processor XMT, while remaining within 10\\% of accuracy. Emulation is only from 25 to 200 times slower than real time.« less

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.

Surprise

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

Curran, L.

1988-03-03

Interest has been building in recent months over the imminent arrival of a new class of supercomputer, called the ''supercomputer on a desk'' or the single-user model. Most observers expected the first such product to come from either of two startups, Ardent Computer Corp. or Stellar Computer Inc. But a surprise entry has shown up. Apollo Computer Inc. is launching a new work station this week that racks up an impressive list of industry first as it puts supercomputer power at the disposal of a single user. The new series 10000 from the Chelmsford, Mass., a company is built aroundmore » a reduced-instruction-set architecture that the company calls Prism, for parallel reduced-instruction-set multiprocessor. This article describes the 10000 and Prism.« less

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.

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.

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

Lusk, Ewing; Butler, Ralph; Pieper, Steven C.

Here, we take a historical approach to our presentation of self-scheduled task parallelism, a programming model with its origins in early irregular and nondeterministic computations encountered in automated theorem proving and logic programming. We show how an extremely simple task model has evolved into a system, asynchronous dynamic load balancing (ADLB), and a scalable implementation capable of supporting sophisticated applications on today’s (and tomorrow’s) largest supercomputers; and we illustrate the use of ADLB with a Green’s function Monte Carlo application, a modern, mature nuclear physics code in production use. Our lesson is that by surrendering a certain amount of generalitymore » and thus applicability, a minimal programming model (in terms of its basic concepts and the size of its application programmer interface) can achieve extreme scalability without introducing complexity.« 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.

A Spectral Algorithm for Solving the Relativistic Vlasov-Maxwell Equations

NASA Technical Reports Server (NTRS)

Shebalin, John V.

2001-01-01

A spectral method algorithm is developed for the numerical solution of the full six-dimensional Vlasov-Maxwell system of equations. Here, the focus is on the electron distribution function, with positive ions providing a constant background. The algorithm consists of a Jacobi polynomial-spherical harmonic formulation in velocity space and a trigonometric formulation in position space. A transform procedure is used to evaluate nonlinear terms. The algorithm is suitable for performing moderate resolution simulations on currently available supercomputers for both scientific and engineering applications.

Parallel-vector out-of-core equation solver for computational mechanics

NASA Technical Reports Server (NTRS)

Qin, J.; Agarwal, T. K.; Storaasli, O. O.; Nguyen, D. T.; Baddourah, M. A.

1993-01-01

A parallel/vector out-of-core equation solver is developed for shared-memory computers, such as the Cray Y-MP machine. The input/ output (I/O) time is reduced by using the a synchronous BUFFER IN and BUFFER OUT, which can be executed simultaneously with the CPU instructions. The parallel and vector capability provided by the supercomputers is also exploited to enhance the performance. Numerical applications in large-scale structural analysis are given to demonstrate the efficiency of the present out-of-core solver.

Development and Applications of a Modular Parallel Process for Large Scale Fluid/Structures Problems

NASA Technical Reports Server (NTRS)

Guruswamy, Guru P.; Byun, Chansup; Kwak, Dochan (Technical Monitor)

2001-01-01

A modular process that can efficiently solve large scale multidisciplinary problems using massively parallel super computers 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.

An OpenACC-Based Unified Programming Model for Multi-accelerator Systems

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

Kim, Jungwon; Lee, Seyong; Vetter, Jeffrey S

2015-01-01

This paper proposes a novel SPMD programming model of OpenACC. Our model integrates the different granularities of parallelism from vector-level parallelism to node-level parallelism into a single, unified model based on OpenACC. It allows programmers to write programs for multiple accelerators using a uniform programming model whether they are in shared or distributed memory systems. We implement a prototype of our model and evaluate its performance with a GPU-based supercomputer using three benchmark applications.

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.

Assessing the Need for Supercomputing Resources Within the Pacific Area of Responsibility

DTIC Science & Technology

2015-05-26

portion of today’s research and development dollars are going toward developing machines that will be better suited for addressing big data applications...2009; Radu Sion, “To Cloud or Not to? Musings on Clouds, Security and Big Data ,” in Secure Data Management, Vol. 8425, May 2014, pp. 3–5; Yao Chen...Applied Parallel and Scientific Computing, Vol. 7134, 2010. Sion, Radu, “To Cloud or Not to? Musings on Clouds, Security and Big Data ,” in Secure Data

Adapting the serial Alpgen parton-interaction generator to simulate LHC collisions on millions of parallel threads

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

Childers, J. T.; Uram, T. D.; LeCompte, T. J.

As the LHC moves to higher energies and luminosity, the demand for computing resources increases accordingly and will soon outpace the growth of the World- wide LHC Computing Grid. To meet this greater demand, event generation Monte Carlo was targeted for adaptation to run on Mira, the supercomputer at the Argonne Leadership Computing Facility. Alpgen is a Monte Carlo event generation application that is used by LHC experiments in the simulation of collisions that take place in the Large Hadron Collider. This paper details the process by which Alpgen was adapted from a single-processor serial-application to a large-scale parallel-application andmore » the performance that was achieved.« less

Adapting the serial Alpgen parton-interaction generator to simulate LHC collisions on millions of parallel threads

DOE PAGES

Childers, J. T.; Uram, T. D.; LeCompte, T. J.; ...

2016-09-29

As the LHC moves to higher energies and luminosity, the demand for computing resources increases accordingly and will soon outpace the growth of the Worldwide LHC Computing Grid. To meet this greater demand, event generation Monte Carlo was targeted for adaptation to run on Mira, the supercomputer at the Argonne Leadership Computing Facility. Alpgen is a Monte Carlo event generation application that is used by LHC experiments in the simulation of collisions that take place in the Large Hadron Collider. Finally, this paper details the process by which Alpgen was adapted from a single-processor serial-application to a large-scale parallel-application andmore » the performance that was achieved.« less

Adapting the serial Alpgen parton-interaction generator to simulate LHC collisions on millions of parallel threads

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

Childers, J. T.; Uram, T. D.; LeCompte, T. J.

As the LHC moves to higher energies and luminosity, the demand for computing resources increases accordingly and will soon outpace the growth of the Worldwide LHC Computing Grid. To meet this greater demand, event generation Monte Carlo was targeted for adaptation to run on Mira, the supercomputer at the Argonne Leadership Computing Facility. Alpgen is a Monte Carlo event generation application that is used by LHC experiments in the simulation of collisions that take place in the Large Hadron Collider. Finally, this paper details the process by which Alpgen was adapted from a single-processor serial-application to a large-scale parallel-application andmore » the performance that was achieved.« less

LFRic: Building a new Unified Model

NASA Astrophysics Data System (ADS)

Melvin, Thomas; Mullerworth, Steve; Ford, Rupert; Maynard, Chris; Hobson, Mike

2017-04-01

The LFRic project, named for Lewis Fry Richardson, aims to develop a replacement for the Met Office Unified Model in order to meet the challenges which will be presented by the next generation of exascale supercomputers. This project, a collaboration between the Met Office, STFC Daresbury and the University of Manchester, builds on the earlier GungHo project to redesign the dynamical core, in partnership with NERC. The new atmospheric model aims to retain the performance of the current ENDGame dynamical core and associated subgrid physics, while also enabling a far greater scalability and flexibility to accommodate future supercomputer architectures. Design of the model revolves around a principle of a 'separation of concerns', whereby the natural science aspects of the code can be developed without worrying about the underlying architecture, while machine dependent optimisations can be carried out at a high level. These principles are put into practice through the development of an autogenerated Parallel Systems software layer (known as the PSy layer) using a domain-specific compiler called PSyclone. The prototype model includes a re-write of the dynamical core using a mixed finite element method, in which different function spaces are used to represent the various fields. It is able to run in parallel with MPI and OpenMP and has been tested on over 200,000 cores. In this talk an overview of the both the natural science and computational science implementations of the model will be presented.

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

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

Status and future perspective of applications of high temperature superconductors

NASA Astrophysics Data System (ADS)

Tanaka, Shoji

The material research on the high temperature superconductivity for the past ten years gave us sufficient information on the new phenomena of these new materials. It seems that new applications in a very wide range of industries are increasing rapidly. In this report three main topics of the applications are given ; [a] progress of the superconducting bulk materials and their applications to the flywheel electricity storage system and others, [b] progress in the development of superconducting tapes and their applications to power cables, the high field superconducting magnet for the SMES and for the pulling system of large silicon single crystal, and [c] development of new superconducting electronic devices (SFQ) and the possiblity of the application to next generation supercomputers. These examples show the great capability of the superconductivity technology and it is expected that the real superconductivity industry will take off around the year of 2005.

SCORPIO: A Scalable Two-Phase Parallel I/O Library With Application To A Large Scale Subsurface Simulator

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

Sreepathi, Sarat; Sripathi, Vamsi; Mills, Richard T

2013-01-01

Inefficient parallel I/O is known to be a major bottleneck among scientific applications employed on supercomputers as the number of processor cores grows into the thousands. Our prior experience indicated that parallel I/O libraries such as HDF5 that rely on MPI-IO do not scale well beyond 10K processor cores, especially on parallel file systems (like Lustre) with single point of resource contention. Our previous optimization efforts for a massively parallel multi-phase and multi-component subsurface simulator (PFLOTRAN) led to a two-phase I/O approach at the application level where a set of designated processes participate in the I/O process by splitting themore » I/O operation into a communication phase and a disk I/O phase. The designated I/O processes are created by splitting the MPI global communicator into multiple sub-communicators. The root process in each sub-communicator is responsible for performing the I/O operations for the entire group and then distributing the data to rest of the group. This approach resulted in over 25X speedup in HDF I/O read performance and 3X speedup in write performance for PFLOTRAN at over 100K processor cores on the ORNL Jaguar supercomputer. This research describes the design and development of a general purpose parallel I/O library, SCORPIO (SCalable block-ORiented Parallel I/O) that incorporates our optimized two-phase I/O approach. The library provides a simplified higher level abstraction to the user, sitting atop existing parallel I/O libraries (such as HDF5) and implements optimized I/O access patterns that can scale on larger number of processors. Performance results with standard benchmark problems and PFLOTRAN indicate that our library is able to maintain the same speedups as before with the added flexibility of being applicable to a wider range of I/O intensive applications.« 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

Supercomputer simulations of structure formation in the Universe

NASA Astrophysics Data System (ADS)

Ishiyama, Tomoaki

2017-06-01

We describe the implementation and performance results of our massively parallel MPI†/OpenMP‡ hybrid TreePM code for large-scale cosmological N-body simulations. For domain decomposition, a recursive multi-section algorithm is used and the size of domains are automatically set so that the total calculation time is the same for all processes. We developed a highly-tuned gravity kernel for short-range forces, and a novel communication algorithm for long-range forces. For two trillion particles benchmark simulation, the average performance on the fullsystem of K computer (82,944 nodes, the total number of core is 663,552) is 5.8 Pflops, which corresponds to 55% of the peak speed.

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.

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.

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.

Simulating functional magnetic materials on supercomputers.

PubMed

Gruner, Markus Ernst; Entel, Peter

2009-07-22

The recent passing of the petaflop per second landmark by the Roadrunner project at the Los Alamos National Laboratory marks a preliminary peak of an impressive world-wide development in the high-performance scientific computing sector. Also, purely academic state-of-the-art supercomputers such as the IBM Blue Gene/P at Forschungszentrum Jülich allow us nowadays to investigate large systems of the order of 10(3) spin polarized transition metal atoms by means of density functional theory. Three applications will be presented where large-scale ab initio calculations contribute to the understanding of key properties emerging from a close interrelation between structure and magnetism. The first two examples discuss the size dependent evolution of equilibrium structural motifs in elementary iron and binary Fe-Pt and Co-Pt transition metal nanoparticles, which are currently discussed as promising candidates for ultra-high-density magnetic data storage media. However, the preference for multiply twinned morphologies at smaller cluster sizes counteracts the formation of a single-crystalline L1(0) phase, which alone provides the required hard magnetic properties. The third application is concerned with the magnetic shape memory effect in the Ni-Mn-Ga Heusler alloy, which is a technologically relevant candidate for magnetomechanical actuators and sensors. In this material strains of up to 10% can be induced by external magnetic fields due to the field induced shifting of martensitic twin boundaries, requiring an extremely high mobility of the martensitic twin boundaries, but also the selection of the appropriate martensitic structure from the rich phase diagram.

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

Time-dependent density-functional theory in massively parallel computer architectures: the octopus project

NASA Astrophysics Data System (ADS)

Andrade, Xavier; Alberdi-Rodriguez, Joseba; Strubbe, David A.; Oliveira, Micael J. T.; Nogueira, Fernando; Castro, Alberto; Muguerza, Javier; Arruabarrena, Agustin; Louie, Steven G.; Aspuru-Guzik, Alán; Rubio, Angel; Marques, Miguel A. L.

2012-06-01

Octopus is a general-purpose density-functional theory (DFT) code, with a particular emphasis on the time-dependent version of DFT (TDDFT). In this paper we present the ongoing efforts to achieve the parallelization of octopus. We focus on the real-time variant of TDDFT, where the time-dependent Kohn-Sham equations are directly propagated in time. This approach has great potential for execution in massively parallel systems such as modern supercomputers with thousands of processors and graphics processing units (GPUs). For harvesting the potential of conventional supercomputers, the main strategy is a multi-level parallelization scheme that combines the inherent scalability of real-time TDDFT with a real-space grid domain-partitioning approach. A scalable Poisson solver is critical for the efficiency of this scheme. For GPUs, we show how using blocks of Kohn-Sham states provides the required level of data parallelism and that this strategy is also applicable for code optimization on standard processors. Our results show that real-time TDDFT, as implemented in octopus, can be the method of choice for studying the excited states of large molecular systems in modern parallel architectures.

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%.

Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project.

PubMed

Andrade, Xavier; Alberdi-Rodriguez, Joseba; Strubbe, David A; Oliveira, Micael J T; Nogueira, Fernando; Castro, Alberto; Muguerza, Javier; Arruabarrena, Agustin; Louie, Steven G; Aspuru-Guzik, Alán; Rubio, Angel; Marques, Miguel A L

2012-06-13

Octopus is a general-purpose density-functional theory (DFT) code, with a particular emphasis on the time-dependent version of DFT (TDDFT). In this paper we present the ongoing efforts to achieve the parallelization of octopus. We focus on the real-time variant of TDDFT, where the time-dependent Kohn-Sham equations are directly propagated in time. This approach has great potential for execution in massively parallel systems such as modern supercomputers with thousands of processors and graphics processing units (GPUs). For harvesting the potential of conventional supercomputers, the main strategy is a multi-level parallelization scheme that combines the inherent scalability of real-time TDDFT with a real-space grid domain-partitioning approach. A scalable Poisson solver is critical for the efficiency of this scheme. For GPUs, we show how using blocks of Kohn-Sham states provides the required level of data parallelism and that this strategy is also applicable for code optimization on standard processors. Our results show that real-time TDDFT, as implemented in octopus, can be the method of choice for studying the excited states of large molecular systems in modern parallel architectures.

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.

Visualization at supercomputing centers: the tale of little big iron and the three skinny guys.

PubMed

Bethel, E W; van Rosendale, J; Southard, D; Gaither, K; Childs, H; Brugger, E; Ahern, S

2011-01-01

Supercomputing centers are unique resources that aim to enable scientific knowledge discovery by employing large computational resources-the "Big Iron." Design, acquisition, installation, and management of the Big Iron are carefully planned and monitored. Because these Big Iron systems produce a tsunami of data, it's natural to colocate the visualization and analysis infrastructure. This infrastructure consists of hardware (Little Iron) and staff (Skinny Guys). Our collective experience suggests that design, acquisition, installation, and management of the Little Iron and Skinny Guys doesn't receive the same level of treatment as that of the Big Iron. This article explores the following questions about the Little Iron: How should we size the Little Iron to adequately support visualization and analysis of data coming off the Big Iron? What sort of capabilities must it have? Related questions concern the size of visualization support staff: How big should a visualization program be-that is, how many Skinny Guys should it have? What should the staff do? How much of the visualization should be provided as a support service, and how much should applications scientists be expected to do on their own?

PFLOTRAN: Reactive Flow & Transport Code for Use on Laptops to Leadership-Class Supercomputers

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

Hammond, Glenn E.; Lichtner, Peter C.; Lu, Chuan

PFLOTRAN, a next-generation reactive flow and transport code for modeling subsurface processes, has been designed from the ground up to run efficiently on machines ranging from leadership-class supercomputers to laptops. Based on an object-oriented design, the code is easily extensible to incorporate additional processes. It can interface seamlessly with Fortran 9X, C and C++ codes. Domain decomposition parallelism is employed, with the PETSc parallel framework used to manage parallel solvers, data structures and communication. Features of the code include a modular input file, implementation of high-performance I/O using parallel HDF5, ability to perform multiple realization simulations with multiple processors permore » realization in a seamless manner, and multiple modes for multiphase flow and multicomponent geochemical transport. Chemical reactions currently implemented in the code include homogeneous aqueous complexing reactions and heterogeneous mineral precipitation/dissolution, ion exchange, surface complexation and a multirate kinetic sorption model. PFLOTRAN has demonstrated petascale performance using 2{sup 17} processor cores with over 2 billion degrees of freedom. Accomplishments achieved to date include applications to the Hanford 300 Area and modeling CO{sub 2} sequestration in deep geologic formations.« less

Evolution of a minimal parallel programming model

DOE PAGES

Lusk, Ewing; Butler, Ralph; Pieper, Steven C.

2017-04-30

Here, we take a historical approach to our presentation of self-scheduled task parallelism, a programming model with its origins in early irregular and nondeterministic computations encountered in automated theorem proving and logic programming. We show how an extremely simple task model has evolved into a system, asynchronous dynamic load balancing (ADLB), and a scalable implementation capable of supporting sophisticated applications on today’s (and tomorrow’s) largest supercomputers; and we illustrate the use of ADLB with a Green’s function Monte Carlo application, a modern, mature nuclear physics code in production use. Our lesson is that by surrendering a certain amount of generalitymore » and thus applicability, a minimal programming model (in terms of its basic concepts and the size of its application programmer interface) can achieve extreme scalability without introducing complexity.« less

Short Term Weather Forecasting and Long Term Climate Predictions in Mesoamerica

NASA Astrophysics Data System (ADS)

Hardin, D. M.; Daniel, I.; Mecikalski, J.; Graves, S.

2008-05-01

The SERVIR project utilizes several predictive models to support regional monitoring and decision support in Mesoamerica. Short term forecasts ranging from a few hours to several days produce more than 30 data products that are used daily by decision makers, as well as news organizations in the region. The forecast products can be visualized in both two and three dimensional viewers such as Google Maps and Google Earth. Other viewers developed specifically for the Mesoamerican region by the University of Alabama in Huntsville and the Institute for the Application of Geospatial Technologies in Auburn New York can also be employed. In collaboration with the NASA Short Term Prediction Research and Transition (SpoRT) Center SERVIR utilizes the Weather Research and Forecast (WRF) model to produce short-term (24 hr) regional weather forecasts twice a day. Temperature, precipitation, wind, and other variables are forecast in 10km and 30km grids over the Mesoamerica region. Using the PSU/NCAR Mesoscale Model, known as MM5, SERVIR produces 48 hour- forecasts of soil temperature, two meter surface temperature, three hour accumulated precipitation, winds at different heights, and other variables. These are forecast hourly in 9km grids. Working in collaboration with the Atmospheric Science Department of the University of Alabama in Huntsville produces a suite of short-term (0-6 hour) weather prediction products are generated. These "convective initiation" products predict the onset of thunderstorm rainfall and lightning within a 1-hour timeframe. Models are also employed for long term predictions. The SERVIR project, under USAID funding, has developed comprehensive regional climate change scenarios of Mesoamerica for future years: 2010, 2015, 2025, 2050, and 2099. These scenarios were created using the Pennsylvania State University/National Center for Atmospheric Research (MM5) model and processed on the Oak Ridge National Laboratory Cheetah supercomputer. The goal of these Mesoamerican climate change scenarios is to better understand the regional climate, the major controls, and how it might be expected to change in the future. This presentation will present a summary of the model results and show the application of these data in preparation for and response to recent tropical storms.

Towards real-time photon Monte Carlo dose calculation in the cloud

NASA Astrophysics Data System (ADS)

Ziegenhein, Peter; Kozin, Igor N.; Kamerling, Cornelis Ph; Oelfke, Uwe

2017-06-01

Near real-time application of Monte Carlo (MC) dose calculation in clinic and research is hindered by the long computational runtimes of established software. Currently, fast MC software solutions are available utilising accelerators such as graphical processing units (GPUs) or clusters based on central processing units (CPUs). Both platforms are expensive in terms of purchase costs and maintenance and, in case of the GPU, provide only limited scalability. In this work we propose a cloud-based MC solution, which offers high scalability of accurate photon dose calculations. The MC simulations run on a private virtual supercomputer that is formed in the cloud. Computational resources can be provisioned dynamically at low cost without upfront investment in expensive hardware. A client-server software solution has been developed which controls the simulations and transports data to and from the cloud efficiently and securely. The client application integrates seamlessly into a treatment planning system. It runs the MC simulation workflow automatically and securely exchanges simulation data with the server side application that controls the virtual supercomputer. Advanced encryption standards were used to add an additional security layer, which encrypts and decrypts patient data on-the-fly at the processor register level. We could show that our cloud-based MC framework enables near real-time dose computation. It delivers excellent linear scaling for high-resolution datasets with absolute runtimes of 1.1 seconds to 10.9 seconds for simulating a clinical prostate and liver case up to 1% statistical uncertainty. The computation runtimes include the transportation of data to and from the cloud as well as process scheduling and synchronisation overhead. Cloud-based MC simulations offer a fast, affordable and easily accessible alternative for near real-time accurate dose calculations to currently used GPU or cluster solutions.

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.

Towards real-time photon Monte Carlo dose calculation in the cloud.

PubMed

Ziegenhein, Peter; Kozin, Igor N; Kamerling, Cornelis Ph; Oelfke, Uwe

2017-06-07

Near real-time application of Monte Carlo (MC) dose calculation in clinic and research is hindered by the long computational runtimes of established software. Currently, fast MC software solutions are available utilising accelerators such as graphical processing units (GPUs) or clusters based on central processing units (CPUs). Both platforms are expensive in terms of purchase costs and maintenance and, in case of the GPU, provide only limited scalability. In this work we propose a cloud-based MC solution, which offers high scalability of accurate photon dose calculations. The MC simulations run on a private virtual supercomputer that is formed in the cloud. Computational resources can be provisioned dynamically at low cost without upfront investment in expensive hardware. A client-server software solution has been developed which controls the simulations and transports data to and from the cloud efficiently and securely. The client application integrates seamlessly into a treatment planning system. It runs the MC simulation workflow automatically and securely exchanges simulation data with the server side application that controls the virtual supercomputer. Advanced encryption standards were used to add an additional security layer, which encrypts and decrypts patient data on-the-fly at the processor register level. We could show that our cloud-based MC framework enables near real-time dose computation. It delivers excellent linear scaling for high-resolution datasets with absolute runtimes of 1.1 seconds to 10.9 seconds for simulating a clinical prostate and liver case up to 1% statistical uncertainty. The computation runtimes include the transportation of data to and from the cloud as well as process scheduling and synchronisation overhead. Cloud-based MC simulations offer a fast, affordable and easily accessible alternative for near real-time accurate dose calculations to currently used GPU or cluster solutions.

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

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

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

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.

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

An Adaptable Seismic Data Format for Modern Scientific Workflows

NASA Astrophysics Data System (ADS)

Smith, J. A.; Bozdag, E.; Krischer, L.; Lefebvre, M.; Lei, W.; Podhorszki, N.; Tromp, J.

2013-12-01

Data storage, exchange, and access play a critical role in modern seismology. Current seismic data formats, such as SEED, SAC, and SEG-Y, were designed with specific applications in mind and are frequently a major bottleneck in implementing efficient workflows. We propose a new modern parallel format that can be adapted for a variety of seismic workflows. The Adaptable Seismic Data Format (ASDF) features high-performance parallel read and write support and the ability to store an arbitrary number of traces of varying sizes. Provenance information is stored inside the file so that users know the origin of the data as well as the precise operations that have been applied to the waveforms. The design of the new format is based on several real-world use cases, including earthquake seismology and seismic interferometry. The metadata is based on the proven XML schemas StationXML and QuakeML. Existing time-series analysis tool-kits are easily interfaced with this new format so that seismologists can use robust, previously developed software packages, such as ObsPy and the SAC library. ADIOS, netCDF4, and HDF5 can be used as the underlying container format. At Princeton University, we have chosen to use ADIOS as the container format because it has shown superior scalability for certain applications, such as dealing with big data on HPC systems. In the context of high-performance computing, we have implemented ASDF into the global adjoint tomography workflow on Oak Ridge National Laboratory's supercomputer Titan.

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.

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

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

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.

An evaluation of the state of time synchronization on leadership class supercomputers

DOE PAGES

Jones, Terry; Ostrouchov, George; Koenig, Gregory A.; ...

2017-10-09

We present a detailed examination of time agreement characteristics for nodes within extreme-scale parallel computers. Using a software tool we introduce in this paper, we quantify attributes of clock skew among nodes in three representative high-performance computers sited at three national laboratories. Our measurements detail the statistical properties of time agreement among nodes and how time agreement drifts over typical application execution durations. We discuss the implications of our measurements, why the current state of the field is inadequate, and propose strategies to address observed shortcomings.

Application of technology developed for flight simulation at NASA. Langley Research Center

NASA Technical Reports Server (NTRS)

Cleveland, Jeff I., II

1991-01-01

In order to meet the stringent time-critical requirements for real-time man-in-the-loop flight simulation, computer processing operations including mathematical model computation and data input/output to the simulators must be deterministic and be completed in as short a time as possible. Personnel at NASA's Langley Research Center are currently developing the use of supercomputers for simulation mathematical model computation for real-time simulation. This, coupled with the use of an open systems software architecture, will advance the state-of-the-art in real-time flight simulation.

Unstructured grids on SIMD torus machines

NASA Technical Reports Server (NTRS)

Bjorstad, Petter E.; Schreiber, Robert

1994-01-01

Unstructured grids lead to unstructured communication on distributed memory parallel computers, a problem that has been considered difficult. Here, we consider adaptive, offline communication routing for a SIMD processor grid. Our approach is empirical. We use large data sets drawn from supercomputing applications instead of an analytic model of communication load. The chief contribution of this paper is an experimental demonstration of the effectiveness of certain routing heuristics. Our routing algorithm is adaptive, nonminimal, and is generally designed to exploit locality. We have a parallel implementation of the router, and we report on its performance.

An evaluation of the state of time synchronization on leadership class supercomputers

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

Jones, Terry; Ostrouchov, George; Koenig, Gregory A.

We present a detailed examination of time agreement characteristics for nodes within extreme-scale parallel computers. Using a software tool we introduce in this paper, we quantify attributes of clock skew among nodes in three representative high-performance computers sited at three national laboratories. Our measurements detail the statistical properties of time agreement among nodes and how time agreement drifts over typical application execution durations. We discuss the implications of our measurements, why the current state of the field is inadequate, and propose strategies to address observed shortcomings.

When Black Holes Collide

NASA Technical Reports Server (NTRS)

Baker, John

2010-01-01

Among the fascinating phenomena predicted by General Relativity, Einstein's theory of gravity, black holes and gravitational waves, are particularly important in astronomy. Though once viewed as a mathematical oddity, black holes are now recognized as the central engines of many of astronomy's most energetic cataclysms. Gravitational waves, though weakly interacting with ordinary matter, may be observed with new gravitational wave telescopes, opening a new window to the universe. These observations promise a direct view of the strong gravitational dynamics involving dense, often dark objects, such as black holes. The most powerful of these events may be merger of two colliding black holes. Though dark, these mergers may briefly release more energy that all the stars in the visible universe, in gravitational waves. General relativity makes precise predictions for the gravitational-wave signatures of these events, predictions which we can now calculate with the aid of supercomputer simulations. These results provide a foundation for interpreting expect observations in the emerging field of gravitational wave astronomy.

Earth-mass dark-matter haloes as the first structures in the early Universe.

PubMed

Diemand, J; Moore, B; Stadel, J

2005-01-27

The Universe was nearly smooth and homogeneous before a redshift of z = 100, about 20 million years after the Big Bang. After this epoch, the tiny fluctuations imprinted upon the matter distribution during the initial expansion began to collapse because of gravity. The properties of these fluctuations depend on the unknown nature of dark matter, the determination of which is one of the biggest challenges in present-day science. Here we report supercomputer simulations of the concordance cosmological model, which assumes neutralino dark matter (at present the preferred candidate), and find that the first objects to form are numerous Earth-mass dark-matter haloes about as large as the Solar System. They are stable against gravitational disruption, even within the central regions of the Milky Way. We expect over 10(15) to survive within the Galactic halo, with one passing through the Solar System every few thousand years. The nearest structures should be among the brightest sources of gamma-rays (from particle-particle annihilation).

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.

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.

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.

3D-radiative transfer in terrestrial atmosphere: An efficient parallel numerical procedure

NASA Astrophysics Data System (ADS)

Bass, L. P.; Germogenova, T. A.; Nikolaeva, O. V.; Kokhanovsky, A. A.; Kuznetsov, V. S.

2003-04-01

Light propagation and scattering in terrestrial atmosphere is usually studied in the framework of the 1D radiative transfer theory [1]. However, in reality particles (e.g., ice crystals, solid and liquid aerosols, cloud droplets) are randomly distributed in 3D space. In particular, their concentrations vary both in vertical and horizontal directions. Therefore, 3D effects influence modern cloud and aerosol retrieval procedures, which are currently based on the 1D radiative transfer theory. It should be pointed out that the standard radiative transfer equation allows to study these more complex situations as well [2]. In recent year the parallel version of the 2D and 3D RADUGA code has been developed. This version is successfully used in gammas and neutrons transport problems [3]. Applications of this code to radiative transfer in atmosphere problems are contained in [4]. Possibilities of code RADUGA are presented in [5]. The RADUGA code system is an universal solver of radiative transfer problems for complicated models, including 2D and 3D aerosol and cloud fields with arbitrary scattering anisotropy, light absorption, inhomogeneous underlying surface and topography. Both delta type and distributed light sources can be accounted for in the framework of the algorithm developed. The accurate numerical procedure is based on the new discrete ordinate SWDD scheme [6]. The algorithm is specifically designed for parallel supercomputers. The version RADUGA 5.1(P) can run on MBC1000M [7] (768 processors with 10 Gb of hard disc memory for each processor). The peak productivity is equal 1 Tfl. Corresponding scalar version RADUGA 5.1 is working on PC. As a first example of application of the algorithm developed, we have studied the shadowing effects of clouds on neighboring cloudless atmosphere, depending on the cloud optical thickness, surface albedo, and illumination conditions. This is of importance for modern satellite aerosol retrieval algorithms development. [1] Sobolev, V. V., 1972: Light scattering in planetary atmosphere, M.:Nauka. [2] Evans, K. F., 1998: The spherical harmonic discrete ordinate method for three dimensional atmospheric radiative transfer, J. Atmos. Sci., 55, 429 446. [3] L.P. Bass, T.A. Germogenova, V.S. Kuznetsov, O.V. Nikolaeva. RADUGA 5.1 and RADUGA 5.1(P) codes for stationary transport equation solution in 2D and 3D geometries on one and multiprocessors computers. Report on seminar “Algorithms and Codes for neutron physical of nuclear reactor calculations” (Neutronica 2001), Obninsk, Russia, 30 October 2 November 2001. [4] T.A. Germogenova, L.P. Bass, V.S. Kuznetsov, O.V. Nikolaeva. Mathematical modeling on parallel computers solar and laser radiation transport in 3D atmosphere. Report on International Symposium CIS countries “Atmosphere radiation”, 18 21 June 2002, St. Peterburg, Russia, p. 15 16. [5] L.P. Bass, T.A. Germogenova, O.V. Nikolaeva, V.S. Kuznetsov. Radiative Transfer Universal 2D 3D Code RADUGA 5.1(P) for Multiprocessor Computer. Abstract. Poster report on this Meeting. [6] L.P. Bass, O.V. Nikolaeva. Correct calculation of Angular Flux Distribution in Strongly Heterogeneous Media and Voids. Proc. of Joint International Conference on Mathematical Methods and Supercomputing for Nuclear Applications, Saratoga Springs, New York, October 5 9, 1997, p. 995 1004. [7] http://www/jscc.ru

PyMercury: Interactive Python for the Mercury Monte Carlo Particle Transport Code

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

Iandola, F N; O'Brien, M J; Procassini, R J

2010-11-29

Monte Carlo particle transport applications are often written in low-level languages (C/C++) for optimal performance on clusters and supercomputers. However, this development approach often sacrifices straightforward usability and testing in the interest of fast application performance. To improve usability, some high-performance computing applications employ mixed-language programming with high-level and low-level languages. In this study, we consider the benefits of incorporating an interactive Python interface into a Monte Carlo application. With PyMercury, a new Python extension to the Mercury general-purpose Monte Carlo particle transport code, we improve application usability without diminishing performance. In two case studies, we illustrate how PyMercury improvesmore » usability and simplifies testing and validation in a Monte Carlo application. In short, PyMercury demonstrates the value of interactive Python for Monte Carlo particle transport applications. In the future, we expect interactive Python to play an increasingly significant role in Monte Carlo usage and testing.« less

Post-pyrite transition in SiO2

NASA Astrophysics Data System (ADS)

Ho, K.; Wu, S.; Umemoto, K.; Wentzcovitch, R. M.; Ji, M.; Wang, C.

2010-12-01

Here we propose a new phase of SiO2 beyond the pyrite-type phase. SiO2 is one of the most important minerals in Earth and planetary sciences. So far, the pyrite-type phase has been identified experimentally as the highest-pressure form of SiO2. In solar giants and extrasolar planets whose interior pressures are considerably higher than that on Earth, a post-pyrite transition in SiO2 may occur at ~ 1 TPa as a result of the dissociation of MgSiO3 post-perovskite into MgO and SiO2 [Umemtoto et al., Science 311, 983 (2006)]. Several dioxides considered to be low-pressure analogs of SiO2 have a phase with cotunnite-type (PbCl2-type) structure as the post-pyrite phase. However, a first-principles structural search using a genetic algorithm shows that SiO2 should undergo a post-pyrite transition to a hexagonal phase, not to the cotunnite phase. The hexagonal phase is energetically very competitive with the cotunnite-type one. This work was supported by the U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering and NSF under ATM-0428774 (VLab), EAR-0757903, and EAR-1019853. Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. The computations were performed at the National Energy Research Supercomputing Centre (NERSC) and the Minnesota Supercomputing Institute (MSI).

Evolution of the Virtualized HPC Infrastructure of Novosibirsk Scientific Center

NASA Astrophysics Data System (ADS)

Adakin, A.; Anisenkov, A.; Belov, S.; Chubarov, D.; Kalyuzhny, V.; Kaplin, V.; Korol, A.; Kuchin, N.; Lomakin, S.; Nikultsev, V.; Skovpen, K.; Sukharev, A.; Zaytsev, A.

2012-12-01

Novosibirsk Scientific Center (NSC), also known worldwide as Akademgorodok, is one of the largest Russian scientific centers hosting Novosibirsk State University (NSU) and more than 35 research organizations of the Siberian Branch of Russian Academy of Sciences including Budker Institute of Nuclear Physics (BINP), Institute of Computational Technologies, and Institute of Computational Mathematics and Mathematical Geophysics (ICM&MG). Since each institute has specific requirements on the architecture of computing farms involved in its research field, currently we've got several computing facilities hosted by NSC institutes, each optimized for a particular set of tasks, of which the largest are the NSU Supercomputer Center, Siberian Supercomputer Center (ICM&MG), and a Grid Computing Facility of BINP. A dedicated optical network with the initial bandwidth of 10 Gb/s connecting these three facilities was built in order to make it possible to share the computing resources among the research communities, thus increasing the efficiency of operating the existing computing facilities and offering a common platform for building the computing infrastructure for future scientific projects. Unification of the computing infrastructure is achieved by extensive use of virtualization technology based on XEN and KVM platforms. This contribution gives a thorough review of the present status and future development prospects for the NSC virtualized computing infrastructure and the experience gained while using it for running production data analysis jobs related to HEP experiments being carried out at BINP, especially the KEDR detector experiment at the VEPP-4M electron-positron collider.

The MODIS reprojection tool

USGS Publications Warehouse

Dwyer, John L.; Schmidt, Gail L.; Qu, J.J.; Gao, W.; Kafatos, M.; Murphy , R.E.; Salomonson, V.V.

2006-01-01

The MODIS Reprojection Tool (MRT) is designed to help individuals work with MODIS Level-2G, Level-3, and Level-4 land data products. These products are referenced to a global tiling scheme in which each tile is approximately 10° latitude by 10° longitude and non-overlapping (Fig. 9.1). If desired, the user may reproject only selected portions of the product (spatial or parameter subsetting). The software may also be used to convert MODIS products to file formats (generic binary and GeoTIFF) that are more readily compatible with existing software packages. The MODIS land products distributed by the Land Processes Distributed Active Archive Center (LP DAAC) are in the Hierarchical Data Format - Earth Observing System (HDF-EOS), developed by the National Center for Supercomputing Applications at the University of Illinois at Urbana Champaign for the NASA EOS Program. Each HDF-EOS file is comprised of one or more science data sets (SDSs) corresponding to geophysical or biophysical parameters. Metadata are embedded in the HDF file as well as contained in a .met file that is associated with each HDF-EOS file. The MRT supports 8-bit, 16-bit, and 32-bit integer data (both signed and unsigned), as well as 32-bit float data. The data type of the output is the same as the data type of each corresponding input SDS.

Fermion bag approach to Hamiltonian lattice field theories in continuous time

NASA Astrophysics Data System (ADS)

Huffman, Emilie; Chandrasekharan, Shailesh

2017-12-01

We extend the idea of fermion bags to Hamiltonian lattice field theories in the continuous time formulation. Using a class of models we argue that the temperature is a parameter that splits the fermion dynamics into small spatial regions that can be used to identify fermion bags. Using this idea we construct a continuous time quantum Monte Carlo algorithm and compute critical exponents in the 3 d Ising Gross-Neveu universality class using a single flavor of massless Hamiltonian staggered fermions. We find η =0.54 (6 ) and ν =0.88 (2 ) using lattices up to N =2304 sites. We argue that even sizes up to N =10 ,000 sites should be accessible with supercomputers available today.

Research in Computational Astrobiology

NASA Technical Reports Server (NTRS)

Chaban, Galina; Jaffe, Richard; Liang, Shoudan; New, Michael H.; Pohorille, Andrew; Wilson, Michael A.

2002-01-01

We present results from several projects in the new field of computational astrobiology, which is devoted to advancing our understanding of the origin, evolution and distribution of life in the Universe using theoretical and computational tools. We have developed a procedure for calculating long-range effects in molecular dynamics using a plane wave expansion of the electrostatic potential. This method is expected to be highly efficient for simulating biological systems on massively parallel supercomputers. We have perform genomics analysis on a family of actin binding proteins. We have performed quantum mechanical calculations on carbon nanotubes and nucleic acids, which simulations will allow us to investigate possible sources of organic material on the early earth. Finally, we have developed a model of protobiological chemistry using neural networks.

The Pan-American Center for the WMO Sand and Dust Storm Warning Advisory and Assessment System

NASA Astrophysics Data System (ADS)

Sprigg, W. A.

2013-05-01

A World Meteorological Organization system has been established to coordinate knowledge, data, and information concerning airborne dust, the environmental conditions and storms that generate it, the consequences of it, and the means to mitigate and cope with it. Three nodes, or foci, of collaboration cover the globe: for Asia, administered from the China Meteorological Administration in Beijing; for Africa, Europe and the Middle East, administered from the Barcelona Supercomputing Center; and for Pan-America, administered from Chapman University in Orange, California. Pan-American Center priorities include understanding the sources of windblown dust and particulates, simulating and predicting dust events, and serving the health, safety and environmental communities that may benefit from the WMO system.

Dark halos formed via dissipationless collapse. I - Shapes and alignment of angular momentum

NASA Astrophysics Data System (ADS)

Warren, Michael S.; Quinn, Peter J.; Salmon, John K.; Zurek, Wojciech H.

1992-11-01

We use N-body simulations on highly parallel supercomputers to study the structure of Galactic dark matter halos. The systems form by gravitational collapse from scale-free and more general Gaussian initial density perturbations in an expanding 400 Mpc-cubed spherical slice of an Einstein-deSitter universe. We analyze the structure and kinematics of about 100 of the largest relaxed halos in each of 10 separate simulations. A typical halo is a triaxial spheroid which tends to be more often prolate than oblate. These shapes are maintained by anisotropic velocity dispersion rather than by angular momentum. Nevertheless, there is a significant tendency for the total angular momentum vector to be aligned with the minor axis of the density distribution.

Longitudinal relaxation of initially straight flexible and stiff polymers

NASA Astrophysics Data System (ADS)

Dimitrakopoulos, Panagiotis; Dissanayake, Inuka

2004-11-01

The present talk considers the relaxation of a single flexible or stiff polymer chain from an initial straight configuration in a viscous solvent. This problem commonly arises when strong flows are turned off in both industrial and biological applications. The problem is also motivated by recent experiments with single biopolymer molecules relaxing after being fully extended by applied forces as well as by the recent development of micro-devices involving stretched tethered biopolymers. Our results are applicable to a wide array of synthetic polymers such as polyacrylamides, Kevlar and polyesters as well as biopolymers such as DNA, actin filaments, microtubules and MTV. In this talk we discuss the mechanism of the polymer relaxation as was revealed through Brownian Dynamics simulations covering a broad range of time scales and chain stiffness. After the short-time free diffusion, the chain's longitudinal reduction at early intermediate times is shown to constitute a universal behavior for any chain stiffness caused by a quasi-steady relaxation of tensions associated with the deforming action of the Brownian forces. Stiff chains are shown to exhibit a late intermediate-time longitudinal reduction associated with a relaxation of tensions affected by the deforming Brownian and the restoring bending forces. The longitudinal and transverse relaxations are shown to obey different laws, i.e. the chain relaxation is anisotropic at all times. In the talk, we show how from the knowledge of the relaxation mechanism, we can predict and explain the polymer properties including the polymer stress and the solution birefringence. In addition, a generalized stress-optic law is derived valid for any time and chain stiffness. All polymer properties which depend on the polymer length are shown to exhibit two intermediate-time behaviors with the early one to constitute a universal behavior for any chain stiffness. This work was supported in part by the Minta Martin Research Fund. The computations were performed on multiprocessor computers provided by the National Center for Supercomputing Applications (NCSA) in Illinois (grant DMR000003), and by an Academic Equipment Grant from Sun Microsystems Inc.

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

Scalable parallel distance field construction for large-scale applications

DOE PAGES

Yu, Hongfeng; Xie, Jinrong; Ma, Kwan -Liu; ...

2015-10-01

Computing distance fields is fundamental to many scientific and engineering applications. Distance fields can be used to direct analysis and reduce data. In this paper, we present a highly scalable method for computing 3D distance fields on massively parallel distributed-memory machines. Anew distributed spatial data structure, named parallel distance tree, is introduced to manage the level sets of data and facilitate surface tracking overtime, resulting in significantly reduced computation and communication costs for calculating the distance to the surface of interest from any spatial locations. Our method supports several data types and distance metrics from real-world applications. We demonstrate itsmore » efficiency and scalability on state-of-the-art supercomputers using both large-scale volume datasets and surface models. We also demonstrate in-situ distance field computation on dynamic turbulent flame surfaces for a petascale combustion simulation. In conclusion, our work greatly extends the usability of distance fields for demanding applications.« less

Scalable Parallel Distance Field Construction for Large-Scale Applications.

PubMed

Yu, Hongfeng; Xie, Jinrong; Ma, Kwan-Liu; Kolla, Hemanth; Chen, Jacqueline H

2015-10-01

Computing distance fields is fundamental to many scientific and engineering applications. Distance fields can be used to direct analysis and reduce data. In this paper, we present a highly scalable method for computing 3D distance fields on massively parallel distributed-memory machines. A new distributed spatial data structure, named parallel distance tree, is introduced to manage the level sets of data and facilitate surface tracking over time, resulting in significantly reduced computation and communication costs for calculating the distance to the surface of interest from any spatial locations. Our method supports several data types and distance metrics from real-world applications. We demonstrate its efficiency and scalability on state-of-the-art supercomputers using both large-scale volume datasets and surface models. We also demonstrate in-situ distance field computation on dynamic turbulent flame surfaces for a petascale combustion simulation. Our work greatly extends the usability of distance fields for demanding applications.

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.

Induced Star Formation

NASA Astrophysics Data System (ADS)

Kennicutt, Robert C., Jr.

Overview: Induced Star Formation and Interactions Introduction Historical Background: First Hints Systematic Studies: Starbursts Interactions and Nuclear activity IRAS and Ultralumious starburst Galaxies The 1990's: HST, Supercomputers, and the Distant Universe Key Questions and Issues Organization of Lectures Star Formation Properties of Normal Galaxies Observational Techniques Results: Star Formation in Normal Galaxies Interpretation: Star Formation Histories Global Star Formation in interacting Galaxies A Gallery of Interactions and Mergers Star Formation Statistics: Guilt By Association Tests SFRs in Interacting vs Noninteracting Galaxies Kinematic Properties and Regulation of SFRs Induced Nuclear Activity and Star Formation Background: Nuclear Spectra and Classification Nuclear Star Formation and Starbursts Nuclear Star Formation and Interactions Induced AGN Activity: Statistics of Seyfert Galaxies Environments of Quasars Kinematic Clues to the Triggering of AGNs Infrared Luminous Galaxies and Starbursts Background: IR Luminous Galaxies and IRAS Infrared Luminosity Function and Spectra Infrared Structure and Morphology Interstellar Gas X-Ray Emission and Superwinds Optical, UV, and Near-Infrared Spectra Radio Continuum Emission Evidence for Interactions and Mergers The Power Source: Starbursts or Dusty AGNs? Spectral Diagnostics of Starbursts Evolutionary Synthesis Models Applications: Integrated Colors of Interacting Galaxies Applications: Hα Emission, Colors, and SFRs Applications: Spectral Modelling of Evolved Starbursts Infrared Starbursts and the IMF in starbursts Triggering and Regulation of Star Formation: The Problem Introduction: Star Formation as a Nonlinear Process The schmidt Law in Normal Galaxies Star Formation Regimes in Interacting Galaxies Summary Triggering and Regulation of Starbusts: Theoretical Ideas Gravitational Star Formation Thresholds Cloud Collision Models Radial Transport of Gas: Clues from Barred Galaxies Simulations of Starbursts in Merging Galaxies The Cosmological Role of Interactions and Starbursts Interactions in Hierarchical Cosmology Interaction-Induced Star Formation Today Interaction-Induced Star Formation in the Past Disk kinematics and the Merger Rate Global Effects of Starbursts and Superwinds Concluding Remarks References

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/

Unified, Cross-Platform, Open-Source Library Package for High-Performance Computing

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

Kozacik, Stephen

Compute power is continually increasing, but this increased performance is largely found in sophisticated computing devices and supercomputer resources that are difficult to use, resulting in under-utilization. We developed a unified set of programming tools that will allow users to take full advantage of the new technology by allowing them to work at a level abstracted away from the platform specifics, encouraging the use of modern computing systems, including government-funded supercomputer facilities.

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.

An Analysis of Performance Enhancement Techniques for Overset Grid Applications

NASA Technical Reports Server (NTRS)

Djomehri, J. J.; Biswas, R.; Potsdam, M.; Strawn, R. C.; Biegel, Bryan (Technical Monitor)

2002-01-01

The overset grid methodology has significantly reduced time-to-solution of high-fidelity computational fluid dynamics (CFD) simulations about complex aerospace configurations. The solution process resolves the geometrical complexity of the problem domain by using separately generated but overlapping structured discretization grids that periodically exchange information through interpolation. However, high performance computations of such large-scale realistic applications must be handled efficiently on state-of-the-art parallel supercomputers. This paper analyzes the effects of various performance enhancement techniques on the parallel efficiency of an overset grid Navier-Stokes CFD application running on an SGI Origin2000 machine. Specifically, the role of asynchronous communication, grid splitting, and grid grouping strategies are presented and discussed. Results indicate that performance depends critically on the level of latency hiding and the quality of load balancing across the processors.

Study of the TRAC Airfoil Table Computational System

NASA Technical Reports Server (NTRS)

Hu, Hong

1999-01-01

The report documents the study of the application of the TRAC airfoil table computational package (TRACFOIL) to the prediction of 2D airfoil force and moment data over a wide range of angle of attack and Mach number. The TRACFOIL generates the standard C-81 airfoil table for input into rotorcraft comprehensive codes such as CAM- RAD. The existing TRACFOIL computer package is successfully modified to run on Digital alpha workstations and on Cray-C90 supercomputers. A step-by-step instruction for using the package on both computer platforms is provided. Application of the newer version of TRACFOIL is made for two airfoil sections. The C-81 data obtained using the TRACFOIL method are compared with those of wind-tunnel data and results are presented.

RIACS

NASA Technical Reports Server (NTRS)

Oliger, Joseph

1997-01-01

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

Investigation of Carbohydrate Recognition via Computer Simulation

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

Johnson, Quentin R.; Lindsay, Richard J.; Petridis, Loukas

Carbohydrate recognition by proteins, such as lectins and other (bio)molecules, can be essential for many biological functions. Interest has arisen due to potential protein and drug design and future bioengineering applications. A quantitative measurement of carbohydrate-protein interaction is thus important for the full characterization of sugar recognition. Here, we focus on the aspect of utilizing computer simulations and biophysical models to evaluate the strength and specificity of carbohydrate recognition in this review. With increasing computational resources, better algorithms and refined modeling parameters, using state-of-the-art supercomputers to calculate the strength of the interaction between molecules has become increasingly mainstream. We reviewmore » the current state of this technique and its successful applications for studying protein-sugar interactions in recent years.« less

Investigation of Carbohydrate Recognition via Computer Simulation

DOE PAGES

Johnson, Quentin R.; Lindsay, Richard J.; Petridis, Loukas; ...

2015-04-28

Carbohydrate recognition by proteins, such as lectins and other (bio)molecules, can be essential for many biological functions. Interest has arisen due to potential protein and drug design and future bioengineering applications. A quantitative measurement of carbohydrate-protein interaction is thus important for the full characterization of sugar recognition. Here, we focus on the aspect of utilizing computer simulations and biophysical models to evaluate the strength and specificity of carbohydrate recognition in this review. With increasing computational resources, better algorithms and refined modeling parameters, using state-of-the-art supercomputers to calculate the strength of the interaction between molecules has become increasingly mainstream. We reviewmore » the current state of this technique and its successful applications for studying protein-sugar interactions in recent years.« 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.

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).

Making Galaxies: One Star at a Time

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

Abel, Tom

2006-09-18

In the age of precision cosmology the fundamental parameters of our world model are being measured to unprecedented accuracy. In particular, measurements of the cosmic microwave background radiation detail the state of the universe only 400,000 years after the big bang. Unfortunately, we have no direct observational evidence about the following few hundred million years, the so called dark ages. However, we do know from the composition of the highest redshift galaxies that it is there where the earliest and first galaxies are being formed. From a physics point of view these earliest times are much easier to understand andmore » model because the chemical composition of the early gas is simpler and the first galaxies are much smaller than the ones found nearby. The absence of strong magnetic fields, cosmic rays, dust grains and UV radiation fields clearly also helps. The first generation of structure formation is as such a problem extremely well suited for direct ab initio calculations using supercomputers. In this colloquium I will discuss the rich physics of the formation of the first objects as computed via ab initio Eulerian cosmological adaptive mesh refinement calculations. We find the first generation of stars to be massive and to form in isolation with mass between 30 and 300 times the mass of the sun. Remarkably the relevant mass scales can all be understood analytically from the microscopic properties of atomic and molecular hydrogen. The UV radiation from these stars photo-evaporates their parent clouds within their lifetimes contributing significantly to cosmological reionization. Their supernovae distribute the first heavy elements over thousands of light years and enrich the intergalactic medium. As we are beginning to illuminate these earliest phases of galaxy formation many new questions arise and become addressable with our novel numerical techniques. How and where are the earliest magnetic fields made? How do the first super-massive black holes form? When and how can the first planets form in the universe? Algorithmic breakthroughs and large supercomputers enable these studies. Hence I will close with discussing how the expanding computing infrastructure at SLAC and scientific visualization at the Schwob Computing and Information Center at the Fred Kavli building allow us to find answers to the fundamental questions about the beginning of structure in the universe.« less

Requirements for a network storage service

NASA Technical Reports Server (NTRS)

Kelly, Suzanne M.; Haynes, Rena A.

1991-01-01

Sandia National Laboratories provides a high performance classified computer network as a core capability in support of its mission of nuclear weapons design and engineering, physical sciences research, and energy research and development. The network, locally known as the Internal Secure Network (ISN), comprises multiple distributed local area networks (LAN's) residing in New Mexico and California. The TCP/IP protocol suite is used for inter-node communications. Scientific workstations and mid-range computers, running UNIX-based operating systems, compose most LAN's. One LAN, operated by the Sandia Corporate Computing Computing Directorate, is a general purpose resource providing a supercomputer and a file server to the entire ISN. The current file server on the supercomputer LAN is an implementation of the Common File Server (CFS). Subsequent to the design of the ISN, Sandia reviewed its mass storage requirements and chose to enter into a competitive procurement to replace the existing file server with one more adaptable to a UNIX/TCP/IP environment. The requirements study for the network was the starting point for the requirements study for the new file server. The file server is called the Network Storage Service (NSS) and its requirements are described. An application or functional description of the NSS is given. The final section adds performance, capacity, and access constraints to the requirements.

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.

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.

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.

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''.

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.

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

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.

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.

Improved cyberinfrastructure for integrated hydrometeorological predictions within the fully-coupled WRF-Hydro modeling system

NASA Astrophysics Data System (ADS)

gochis, David; hooper, Rick; parodi, Antonio; Jha, Shantenu; Yu, Wei; Zaslavsky, Ilya; Ganapati, Dinesh

2014-05-01

The community WRF-Hydro system is currently being used in a variety of flood prediction and regional hydroclimate impacts assessment applications around the world. Despite its increasingly wide use certain cyberinfrastructure bottlenecks exist in the setup, execution and post-processing of WRF-Hydro model runs. These bottlenecks result in wasted time, labor, data transfer bandwidth and computational resource use. Appropriate development and use of cyberinfrastructure to setup and manage WRF-Hydro modeling applications will streamline the entire workflow of hydrologic model predictions. This talk will present recent advances in the development and use of new open-source cyberinfrastructure tools for the WRF-Hydro architecture. These tools include new web-accessible pre-processing applications, supercomputer job management applications and automated verification and visualization applications. The tools will be described successively and then demonstrated in a set of flash flood use cases for recent destructive flood events in the U.S. and in Europe. Throughout, an emphasis on the implementation and use of community data standards for data exchange is made.

Simulation of High-Resolution Magnetic Resonance Images on the IBM Blue Gene/L Supercomputer Using SIMRI

DOE PAGES

Baum, K. G.; Menezes, G.; Helguera, M.

2011-01-01

Medical imaging system simulators are tools that provide a means to evaluate system architecture and create artificial image sets that are appropriate for specific applications. We have modified SIMRI, a Bloch equation-based magnetic resonance image simulator, in order to successfully generate high-resolution 3D MR images of the Montreal brain phantom using Blue Gene/L systems. Results show that redistribution of the workload allows an anatomically accurate 256 3 voxel spin-echo simulation in less than 5 hours when executed on an 8192-node partition of a Blue Gene/L system.

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.

Simulation of High-Resolution Magnetic Resonance Images on the IBM Blue Gene/L Supercomputer Using SIMRI.

PubMed

Baum, K G; Menezes, G; Helguera, M

2011-01-01

Medical imaging system simulators are tools that provide a means to evaluate system architecture and create artificial image sets that are appropriate for specific applications. We have modified SIMRI, a Bloch equation-based magnetic resonance image simulator, in order to successfully generate high-resolution 3D MR images of the Montreal brain phantom using Blue Gene/L systems. Results show that redistribution of the workload allows an anatomically accurate 256(3) voxel spin-echo simulation in less than 5 hours when executed on an 8192-node partition of a Blue Gene/L system.

A numerical code for the simulation of non-equilibrium chemically reacting flows on hybrid CPU-GPU clusters

NASA Astrophysics Data System (ADS)

Kudryavtsev, Alexey N.; Kashkovsky, Alexander V.; Borisov, Semyon P.; Shershnev, Anton A.

2017-10-01

In the present work a computer code RCFS for numerical simulation of chemically reacting compressible flows on hybrid CPU/GPU supercomputers is developed. It solves 3D unsteady Euler equations for multispecies chemically reacting flows in general curvilinear coordinates using shock-capturing TVD schemes. Time advancement is carried out using the explicit Runge-Kutta TVD schemes. Program implementation uses CUDA application programming interface to perform GPU computations. Data between GPUs is distributed via domain decomposition technique. The developed code is verified on the number of test cases including supersonic flow over a cylinder.

The CSM testbed software system: A development environment for structural analysis methods on the NAS CRAY-2

NASA Technical Reports Server (NTRS)

Gillian, Ronnie E.; Lotts, Christine G.

1988-01-01

The Computational Structural Mechanics (CSM) Activity at Langley Research Center is developing methods for structural analysis on modern computers. To facilitate that research effort, an applications development environment has been constructed to insulate the researcher from the many computer operating systems of a widely distributed computer network. The CSM Testbed development system was ported to the Numerical Aerodynamic Simulator (NAS) Cray-2, at the Ames Research Center, to provide a high end computational capability. This paper describes the implementation experiences, the resulting capability, and the future directions for the Testbed on supercomputers.

Application of computational physics within Northrop

NASA Technical Reports Server (NTRS)

George, M. W.; Ling, R. T.; Mangus, J. F.; Thompkins, W. T.

1987-01-01

An overview of Northrop programs in computational physics is presented. These programs depend on access to today's supercomputers, such as the Numerical Aerodynamical Simulator (NAS), and future growth on the continuing evolution of computational engines. Descriptions here are concentrated on the following areas: computational fluid dynamics (CFD), computational electromagnetics (CEM), computer architectures, and expert systems. Current efforts and future directions in these areas are presented. The impact of advances in the CFD area is described, and parallels are drawn to analagous developments in CEM. The relationship between advances in these areas and the development of advances (parallel) architectures and expert systems is also presented.

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.

Design of multiple sequence alignment algorithms on parallel, distributed memory supercomputers.

PubMed

Church, Philip C; Goscinski, Andrzej; Holt, Kathryn; Inouye, Michael; Ghoting, Amol; Makarychev, Konstantin; Reumann, Matthias

2011-01-01

The challenge of comparing two or more genomes that have undergone recombination and substantial amounts of segmental loss and gain has recently been addressed for small numbers of genomes. However, datasets of hundreds of genomes are now common and their sizes will only increase in the future. Multiple sequence alignment of hundreds of genomes remains an intractable problem due to quadratic increases in compute time and memory footprint. To date, most alignment algorithms are designed for commodity clusters without parallelism. Hence, we propose the design of a multiple sequence alignment algorithm on massively parallel, distributed memory supercomputers to enable research into comparative genomics on large data sets. Following the methodology of the sequential progressiveMauve algorithm, we design data structures including sequences and sorted k-mer lists on the IBM Blue Gene/P supercomputer (BG/P). Preliminary results show that we can reduce the memory footprint so that we can potentially align over 250 bacterial genomes on a single BG/P compute node. We verify our results on a dataset of E.coli, Shigella and S.pneumoniae genomes. Our implementation returns results matching those of the original algorithm but in 1/2 the time and with 1/4 the memory footprint for scaffold building. In this study, we have laid the basis for multiple sequence alignment of large-scale datasets on a massively parallel, distributed memory supercomputer, thus enabling comparison of hundreds instead of a few genome sequences within reasonable time.

Virtual collaborative environments: programming and controlling robotic devices remotely

NASA Astrophysics Data System (ADS)

Davies, Brady R.; McDonald, Michael J., Jr.; Harrigan, Raymond W.

1995-12-01

This paper describes a technology for remote sharing of intelligent electro-mechanical devices. An architecture and actual system have been developed and tested, based on the proposed National Information Infrastructure (NII) or Information Highway, to facilitate programming and control of intelligent programmable machines (like robots, machine tools, etc.). Using appropriate geometric models, integrated sensors, video systems, and computing hardware; computer controlled resources owned and operated by different (in a geographic sense as well as legal sense) entities can be individually or simultaneously programmed and controlled from one or more remote locations. Remote programming and control of intelligent machines will create significant opportunities for sharing of expensive capital equipment. Using the technology described in this paper, university researchers, manufacturing entities, automation consultants, design entities, and others can directly access robotic and machining facilities located across the country. Disparate electro-mechanical resources will be shared in a manner similar to the way supercomputers are accessed by multiple users. Using this technology, it will be possible for researchers developing new robot control algorithms to validate models and algorithms right from their university labs without ever owning a robot. Manufacturers will be able to model, simulate, and measure the performance of prospective robots before selecting robot hardware optimally suited for their intended application. Designers will be able to access CNC machining centers across the country to fabricate prototypic parts during product design validation. An existing prototype architecture and system has been developed and proven. Programming and control of a large gantry robot located at Sandia National Laboratories in Albuquerque, New Mexico, was demonstrated from such remote locations as Washington D.C., Washington State, and Southern California.

Predicting Binary Black Hole Collisions Using Numerical Methods in Collaboration with LIGO

NASA Astrophysics Data System (ADS)

Afshari, Nousha; Lovelace, Geoffrey

2015-04-01

Detecting astronomical gravitational waves will soon open a new window on the universe. The effects of gravitational waves have already been seen indirectly, but a direct observation of these waves will test Einstein's theory of general relativity under the most extreme conditions. The Laser Interferometer Gravitational-Wave Observatory, or LIGO, will soon begin searching for gravitational waves, and the first direct detections are likely in the next few years. To help LIGO detect as many gravitational waves as possible, a major research effort is underway to accurately predict the expected waves. In this presentation, I will discuss new supercomputer simulations of merging black holes--some of the brightest sources of gravitational waves--that I have completed using the Spectral Einstein Code (http://www.black-holes.org/SpEC.html).

Finite element analysis in fluids; Proceedings of the Seventh International Conference on Finite Element Methods in Flow Problems, University of Alabama, Huntsville, Apr. 3-7, 1989

NASA Technical Reports Server (NTRS)

Chung, T. J. (Editor); Karr, Gerald R. (Editor)

1989-01-01

Recent advances in computational fluid dynamics are examined in reviews and reports, with an emphasis on finite-element methods. Sections are devoted to adaptive meshes, atmospheric dynamics, combustion, compressible flows, control-volume finite elements, crystal growth, domain decomposition, EM-field problems, FDM/FEM, and fluid-structure interactions. Consideration is given to free-boundary problems with heat transfer, free surface flow, geophysical flow problems, heat and mass transfer, high-speed flow, incompressible flow, inverse design methods, MHD problems, the mathematics of finite elements, and mesh generation. Also discussed are mixed finite elements, multigrid methods, non-Newtonian fluids, numerical dissipation, parallel vector processing, reservoir simulation, seepage, shallow-water problems, spectral methods, supercomputer architectures, three-dimensional problems, and turbulent flows.

Integrating Visualization Applications, such as ParaView, into HEP Software Frameworks for In-situ Event Displays

NASA Astrophysics Data System (ADS)

Lyon, A. L.; Kowalkowski, J. B.; Jones, C. D.

2017-10-01

ParaView is a high performance visualization application not widely used in High Energy Physics (HEP). It is a long standing open source project led by Kitware and involves several Department of Energy (DOE) and Department of Defense (DOD) laboratories. Futhermore, it has been adopted by many DOE supercomputing centers and other sites. ParaView is unique in speed and efficiency by using state-of-the-art techniques developed by the academic visualization community that are often not found in applications written by the HEP community. In-situ visualization of events, where event details are visualized during processing/analysis, is a common task for experiment software frameworks. Kitware supplies Catalyst, a library that enables scientific software to serve visualization objects to client ParaView viewers yielding a real-time event display. Connecting ParaView to the Fermilab art framework will be described and the capabilities it brings discussed.

High End Computing Technologies for Earth Science Applications: Trends, Challenges, and Innovations

NASA Technical Reports Server (NTRS)

Parks, John (Technical Monitor); Biswas, Rupak; Yan, Jerry C.; Brooks, Walter F.; Sterling, Thomas L.

2003-01-01

Earth science applications of the future will stress the capabilities of even the highest performance supercomputers in the areas of raw compute power, mass storage management, and software environments. These NASA mission critical problems demand usable multi-petaflops and exabyte-scale systems to fully realize their science goals. With an exciting vision of the technologies needed, NASA has established a comprehensive program of advanced research in computer architecture, software tools, and device technology to ensure that, in partnership with US industry, it can meet these demanding requirements with reliable, cost effective, and usable ultra-scale systems. NASA will exploit, explore, and influence emerging high end computing architectures and technologies to accelerate the next generation of engineering, operations, and discovery processes for NASA Enterprises. This article captures this vision and describes the concepts, accomplishments, and the potential payoff of the key thrusts that will help meet the computational challenges in Earth science applications.

Quantum information processing with superconducting circuits: a review.

PubMed

Wendin, G

2017-10-01

During the last ten years, superconducting circuits have passed from being interesting physical devices to becoming contenders for near-future useful and scalable quantum information processing (QIP). Advanced quantum simulation experiments have been shown with up to nine qubits, while a demonstration of quantum supremacy with fifty qubits is anticipated in just a few years. Quantum supremacy means that the quantum system can no longer be simulated by the most powerful classical supercomputers. Integrated classical-quantum computing systems are already emerging that can be used for software development and experimentation, even via web interfaces. Therefore, the time is ripe for describing some of the recent development of superconducting devices, systems and applications. As such, the discussion of superconducting qubits and circuits is limited to devices that are proven useful for current or near future applications. Consequently, the centre of interest is the practical applications of QIP, such as computation and simulation in Physics and Chemistry.

Quantum information processing with superconducting circuits: a review

NASA Astrophysics Data System (ADS)

Wendin, G.

2017-10-01

During the last ten years, superconducting circuits have passed from being interesting physical devices to becoming contenders for near-future useful and scalable quantum information processing (QIP). Advanced quantum simulation experiments have been shown with up to nine qubits, while a demonstration of quantum supremacy with fifty qubits is anticipated in just a few years. Quantum supremacy means that the quantum system can no longer be simulated by the most powerful classical supercomputers. Integrated classical-quantum computing systems are already emerging that can be used for software development and experimentation, even via web interfaces. Therefore, the time is ripe for describing some of the recent development of superconducting devices, systems and applications. As such, the discussion of superconducting qubits and circuits is limited to devices that are proven useful for current or near future applications. Consequently, the centre of interest is the practical applications of QIP, such as computation and simulation in Physics and Chemistry.

Performance Enhancement Strategies for Multi-Block Overset Grid CFD Applications

NASA Technical Reports Server (NTRS)

Djomehri, M. Jahed; Biswas, Rupak

2003-01-01

The overset grid methodology has significantly reduced time-to-solution of highfidelity computational fluid dynamics (CFD) simulations about complex aerospace configurations. The solution process resolves the geometrical complexity of the problem domain by using separately generated but overlapping structured discretization grids that periodically exchange information through interpolation. However, high performance computations of such large-scale realistic applications must be handled efficiently on state-of-the-art parallel supercomputers. This paper analyzes the effects of various performance enhancement strategies on the parallel efficiency of an overset grid Navier-Stokes CFD application running on an SGI Origin2000 machinc. Specifically, the role of asynchronous communication, grid splitting, and grid grouping strategies are presented and discussed. Details of a sophisticated graph partitioning technique for grid grouping are also provided. Results indicate that performance depends critically on the level of latency hiding and the quality of load balancing across the processors.

Efficient in-situ visualization of unsteady flows in climate simulation

NASA Astrophysics Data System (ADS)

Vetter, Michael; Olbrich, Stephan

2017-04-01

The simulation of climate data tends to produce very large data sets, which hardly can be processed in classical post-processing visualization applications. Typically, the visualization pipeline consisting of the processes data generation, visualization mapping and rendering is distributed into two parts over the network or separated via file transfer. Within most traditional post-processing scenarios the simulation is done on a supercomputer whereas the data analysis and visualization is done on a graphics workstation. That way temporary data sets with huge volume have to be transferred over the network, which leads to bandwidth bottlenecks and volume limitations. The solution to this issue is the avoidance of temporary storage, or at least significant reduction of data complexity. Within the Climate Visualization Lab - as part of the Cluster of Excellence "Integrated Climate System Analysis and Prediction" (CliSAP) at the University of Hamburg, in cooperation with the German Climate Computing Center (DKRZ) - we develop and integrate an in-situ approach. Our software framework DSVR is based on the separation of the process chain between the mapping and the rendering processes. It couples the mapping process directly to the simulation by calling methods of a parallelized data extraction library, which create a time-based sequence of geometric 3D scenes. This sequence is stored on a special streaming server with an interactive post-filtering option and then played-out asynchronously in a separate 3D viewer application. Since the rendering is part of this viewer application, the scenes can be navigated interactively. In contrast to other in-situ approaches where 2D images are created as part of the simulation or synchronous co-visualization takes place, our method supports interaction in 3D space and in time, as well as fixed frame rates. To integrate in-situ processing based on our DSVR framework and methods in the ICON climate model, we are continuously evolving the data structures and mapping algorithms of the framework to support the ICON model's native grid structures, since DSVR originally was designed for rectilinear grids only. We now have implemented a new output module to ICON to take advantage of the DSVR visualization. The visualization can be configured as most output modules by using a specific namelist and is exemplarily integrated within the non-hydrostatic atmospheric model time loop. With the integration of a DSVR based in-situ pathline extraction within ICON, a further milestone is reached. The pathline algorithm as well as the grid data structures have been optimized for the domain decomposition used for the parallelization of ICON based on MPI and OpenMP. The software implementation and evaluation is done on the supercomputers at DKRZ. In principle, the data complexity is reduced from O(n3) to O(m), where n is the grid resolution and m the number of supporting point of all pathlines. The stability and scalability evaluation is done using Atmospheric Model Intercomparison Project (AMIP) runs. We will give a short introduction in our software framework, as well as a short overview on the implementation and usage of DSVR within ICON. Furthermore, we will present visualization and evaluation results of sample applications.

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 Navier-Stokes computer

NASA Technical Reports Server (NTRS)

Nosenchuck, D. M.; Littman, M. G.

1986-01-01

The Navier-Stokes computer (NSC) has been developed for solving problems in fluid mechanics involving complex flow simulations that require more speed and capacity than provided by current and proposed Class VI supercomputers. The machine is a parallel processing supercomputer with several new architectural elements which can be programmed to address a wide range of problems meeting the following criteria: (1) the problem is numerically intensive, and (2) the code makes use of long vectors. A simulation of two-dimensional nonsteady viscous flows is presented to illustrate the architecture, programming, and some of the capabilities of the NSC.

Merging the Machines of Modern Science

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

Wolf, Laura; Collins, Jim

Two recent projects have harnessed supercomputing resources at the US Department of Energy’s Argonne National Laboratory in a novel way to support major fusion science and particle collider experiments. Using leadership computing resources, one team ran fine-grid analysis of real-time data to make near-real-time adjustments to an ongoing experiment, while a second team is working to integrate Argonne’s supercomputers into the Large Hadron Collider/ATLAS workflow. Together these efforts represent a new paradigm of the high-performance computing center as a partner in experimental science.

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.

Merlin - Massively parallel heterogeneous computing

NASA Technical Reports Server (NTRS)

Wittie, Larry; Maples, Creve

1989-01-01

Hardware and software for Merlin, a new kind of massively parallel computing system, are described. Eight computers are linked as a 300-MIPS prototype to develop system software for a larger Merlin network with 16 to 64 nodes, totaling 600 to 3000 MIPS. These working prototypes help refine a mapped reflective memory technique that offers a new, very general way of linking many types of computer to form supercomputers. Processors share data selectively and rapidly on a word-by-word basis. Fast firmware virtual circuits are reconfigured to match topological needs of individual application programs. Merlin's low-latency memory-sharing interfaces solve many problems in the design of high-performance computing systems. The Merlin prototypes are intended to run parallel programs for scientific applications and to determine hardware and software needs for a future Teraflops Merlin network.

Evaluation of Job Queuing/Scheduling Software: Phase I Report

NASA Technical Reports Server (NTRS)

Jones, James Patton

1996-01-01

The recent proliferation of high performance work stations and the increased reliability of parallel systems have illustrated the need for robust job management systems to support parallel applications. To address this issue, the national Aerodynamic Simulation (NAS) supercomputer facility compiled a requirements checklist for job queuing/scheduling software. Next, NAS began an evaluation of the leading job management system (JMS) software packages against the checklist. This report describes the three-phase evaluation process, and presents the results of Phase 1: Capabilities versus Requirements. We show that JMS support for running parallel applications on clusters of workstations and parallel systems is still insufficient, even in the leading JMS's. However, by ranking each JMS evaluated against the requirements, we provide data that will be useful to other sites in selecting a JMS.

Towards quantum chemistry on a quantum computer.

PubMed

Lanyon, B P; Whitfield, J D; Gillett, G G; Goggin, M E; Almeida, M P; Kassal, I; Biamonte, J D; Mohseni, M; Powell, B J; Barbieri, M; Aspuru-Guzik, A; White, A G

2010-02-01

Exact first-principles calculations of molecular properties are currently intractable because their computational cost grows exponentially with both the number of atoms and basis set size. A solution is to move to a radically different model of computing by building a quantum computer, which is a device that uses quantum systems themselves to store and process data. Here we report the application of the latest photonic quantum computer technology to calculate properties of the smallest molecular system: the hydrogen molecule in a minimal basis. We calculate the complete energy spectrum to 20 bits of precision and discuss how the technique can be expanded to solve large-scale chemical problems that lie beyond the reach of modern supercomputers. These results represent an early practical step toward a powerful tool with a broad range of quantum-chemical applications.

Characterizing parallel file-access patterns on a large-scale multiprocessor

NASA Technical Reports Server (NTRS)

Purakayastha, A.; Ellis, Carla; Kotz, David; Nieuwejaar, Nils; Best, Michael L.

1995-01-01

High-performance parallel file systems are needed to satisfy tremendous I/O requirements of parallel scientific applications. The design of such high-performance parallel file systems depends on a comprehensive understanding of the expected workload, but so far there have been very few usage studies of multiprocessor file systems. This paper is part of the CHARISMA project, which intends to fill this void by measuring real file-system workloads on various production parallel machines. In particular, we present results from the CM-5 at the National Center for Supercomputing Applications. Our results are unique because we collect information about nearly every individual I/O request from the mix of jobs running on the machine. Analysis of the traces leads to various recommendations for parallel file-system design.

Havens: Explicit Reliable Memory Regions for HPC Applications

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

Hukerikar, Saurabh; Engelmann, Christian

2016-01-01

Supporting error resilience in future exascale-class supercomputing systems is a critical challenge. Due to transistor scaling trends and increasing memory density, scientific simulations are expected to experience more interruptions caused by transient errors in the system memory. Existing hardware-based detection and recovery techniques will be inadequate to manage the presence of high memory fault rates. In this paper we propose a partial memory protection scheme based on region-based memory management. We define the concept of regions called havens that provide fault protection for program objects. We provide reliability for the regions through a software-based parity protection mechanism. Our approach enablesmore » critical program objects to be placed in these havens. The fault coverage provided by our approach is application agnostic, unlike algorithm-based fault tolerance techniques.« less

Adventures in supercomputing, a K-12 program in computational science: An assessment

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

Oliver, C.E.; Hicks, H.R.; Iles-Brechak, K.D.

1994-10-01

In this paper, the authors describe only those elements of the Department of Energy Adventures in Supercomputing (AiS) program for high school teachers, such as school selection, which have a direct bearing on assessment. Schools submit an application to participate in the AiS program. They propose a team of at least two teachers to implement the AiS curriculum. The applications are evaluated by selection committees in each of the five participating states to determine which schools are the most qualified to carry out the program and reach a significant number of women, minorities, and economically disadvantaged students, all of whommore » have historically been underrepresented in the sciences. Typically, selected schools either have a large disadvantaged student population, or the applying teachers propose specific means to attract these segments of their student body into AiS classes. Some areas with AiS schools have significant numbers of minority students, some have economically disadvantaged, usually rural, students, and all areas have the potential to reach a higher proportion of women than technical classes usually attract. This report presents preliminary findings based on three types of data: demographic, student journals, and contextual. Demographic information is obtained for both students and teachers. Students have been asked to maintain journals which include replies to specific questions that are posed each month. An analysis of the answers to these questions helps to form a picture of how students progress through the course of the school year. Onsite visits by assessment professionals conducting student and teacher interviews, provide a more in depth, qualitative basis for understanding student motivations.« less