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Oklahoma Supercomputing Symposium 2012Oklahoma Supercomputing Symposium 2012


OSCER

OU IT

OK EPSCoR

Great Plains Network


Table of Contents

Other speakers to be announced


KEYNOTE SPEAKER

Thom H. Dunning, Jr.
Thom H. Dunning, Jr.

Director, National Center for Supercomputing Applications (NCSA)
Director, Institute for Advanced Computing Applications & Technologies (IACAT)
Distinguished Chair for Research Excellence in Chemistry
University of Illinois at Urbana-Champaign

Keynote Topic: "Blue Waters: Overview of a Sustained Petascale Computing System"

Slides:   PDF

Keynote Talk Abstract

A new generation of supercomputers – petascale computers – is providing scientists and engineers with the ability to simulate a broad range of natural and engineered systems with unprecedented fidelity. Just as important in this increasingly data-rich world, these new computers allow researchers to manage and analyze unprecedented quantities of data, seeking connections, patterns and knowledge. The impact of this new computing capability will be profound, affecting science, engineering and society. The National Center for Supercomputing Applications at the University of Illinois at Urbana-Champaign is deploying a computing system that will sustain one quadrillion calculations per second on a broad range of science and engineering applications, as well as manage and analyze petabytes of data. This computer, Blue Waters, has been configured to enable it to solve the most compute-, memory- and data-intensive problems in science and engineering. It will have tens of thousands of chips (CPUs & GPUs), petabytes of memory, tens of petabytes of disk storage, and hundreds of petabytes of archival storage. The presentation will describe Blue Waters and illustrate the role that Blue Waters will play in a few illustrative areas of research.

Biography

Thom H. Dunning, Jr. is the director of the National Center for Supercomputing Applications (NCSA) and its Institute for Advanced Computing Applications & Technologies (IACAT) and Distinguished Chair for Research Excellence in the Department of Chemistry at the University of Illinois at Urbana-Champaign. As the director of NCSA and IACAT, Dr. Dunning is responsible for ensuring that Illinois and NCSA remains a world leader in the development and deployment of advanced cyberinfrastructure, including one of the world's most powerful supercomputers, Blue Waters, and the nation's most extensive high performance computing infrastructure, the Extreme Science and Engineering Discovery Environment (XSEDE).

Dr. Dunning has authored over 150 scientific publications on topics ranging from computational techniques for molecular calculations to computational studies of high power lasers and the chemical reactions involved in combustion. Six of his papers are "citation classics" with more than 1,000 citations. He was also the scientific leader of the US Department of Energy's first "Grand Challenge" in computational chemistry. Dr. Dunning is a Fellow of the American Physical Society, American Association for the Advancement of Science, and the American Chemical Society. He received DOE's E. O. Lawrence Award in 1996 and its Distinguished Associate Award in 2001. In 2011, Dr. Dunning received the "Computers in Chemical and Pharmaceutical Research" award from the American Chemical Society.

Dr. Dunning obtained his bachelor's degree in Chemistry in 1965 from the Missouri University of Science and Technology and his doctorate in Chemistry/Chemical Physics from the California Institute of Technology in 1970.


PLENARY SPEAKERS

Henry Neeman
Henry Neeman

Director
OU Supercomputing Center for Education & Research (OSCER)
Information Technology
University of Oklahoma

Topic: "OSCER State of the Center Address"

Slides:   PowerPoint2007   PDF

Talk Abstract

The OU Supercomputing Center for Education & Research (OSCER) celebrates its 11th anniversary on August 31 2012. In this report, we examine what OSCER is, what OSCER does, what OSCER has accomplished in its 11 years, and where OSCER is going.

Biography

Dr. Henry Neeman is the Director of the OU Supercomputing Center for Education & Research and an adjunct assistant professor in the School of Computer Science at the University of Oklahoma. He received his BS in computer science and his BA in statistics with a minor in mathematics from the State University of New York at Buffalo in 1987, his MS in CS from the University of Illinois at Urbana-Champaign in 1990 and his PhD in CS from UIUC in 1996. Prior to coming to OU, Dr. Neeman was a postdoctoral research associate at the National Center for Supercomputing Applications at UIUC, and before that served as a graduate research assistant both at NCSA and at the Center for Supercomputing Research & Development.

In addition to his own teaching and research, Dr. Neeman collaborates with dozens of research groups, applying High Performance Computing techniques in fields such as numerical weather prediction, bioinformatics and genomics, data mining, high energy physics, astronomy, nanotechnology, petroleum reservoir management, river basin modeling and engineering optimization. He serves as an ad hoc advisor to student researchers in many of these fields.

Dr. Neeman's research interests include high performance computing, scientific computing, parallel and distributed computing and computer science education.

Dan Stanzione
Dan Stanzione

Deputy Director
Texas Advanced Computing Center
University of Texas

Topic: "The Stampede is Coming: A New Petascale Resource for the Open Science Community"

Slides:   PowerPoint   PDF

Talk Abstract

The Stampede system, coming in early 2013, is the new flagship system for the National Science Foundation's Extreme Science and Engineering Discovery Environment (XSEDE) open science infrastructure. Stampede, which will provide up to 10 Petaflops of performance, will be the first system to deploy in production Intel's Many Integrated Core or "MIC" processors. This talk will cover the system architecture and programming models for Stampede, and trace the design decisions and technology trends that led to the Stampede design. Stampede will replace Ranger, which has run more than 3 million jobs for thousands of users, and like Ranger, Stampede will be open to all open science researchers in the US.

Biography

Dr. Dan Stanzione is the Deputy Director of the Texas Advanced Computing Center (TACC) at The University of Texas at Austin. He is the Co-Director of "The iPlant Collaborative: A Cyberinfrastructure-Centered Community for a New Plant Biology," an ambitious endeavor to build a multidisciplinary community of scientists, teachers and students who will develop cyberinfrastructure and apply computational approaches to make significant advances in plant science. He is also a Co-PI for TACC's Ranger supercomputer, the first of the "Path to Petascale" systems supported by the National Science Foundation (NSF). Ranger was deployed in February 2008 (at the time, the largest open science supercomputer in the world). Prior to joining TACC, Dr. Stanzione was the founding director of the Ira A. Fulton High Performance Computing Institute (HPCI) at Arizona State University (ASU). Before ASU, he served as an AAAS Science Policy Fellow in the NSF's Division of Graduate Education. Dr. Stanzione began his career at Clemson University, his alma mater, where he directed the supercomputing laboratory and served as an assistant research professor of electrical and computer engineering. Dr. Stanzione's research focuses on parallel programming, scientific computing, bioinformatics, and system software for large scale systems.

Robert M. Panoff, Ph.D., D.Sc.
Robert M. Panoff

President and Executive Director
Shodor Education Foundation
National Computational Science Institute
Topic: "Towards a Generation of Parallel Thinkers"
Slides:   HTML

Talk Abstract:

Multi-core computing has emerged as the infrastructure norm of all computing, even for desktops and mobile devices. Nearly every exploration in the social, life, and physical sciences requires the efficient implementation of complex models of increasing size and scale, along with the application of massively parallel computing and the analysis of big data. There has been a substantial lag, however, in understanding parallel thinking in problem formulation and solution in such environments. Parallel thinking is still foreign to many computer science faculty, and even more so to faculty of math and science courses, who have spent the last half-century devising serial formulae and algorithms, and ultimately overly simplified problems. Getting back to the basics of modeling the world around us, our goal is to exploit the parallelism in nature to illuminate the nature of parallelism.

Biography

Dr. Robert M. Panoff is founder and Executive Director of the Shodor Education Foundation a non-profit education and research corporation dedicated to reform and improvement of mathematics and science education through computational and communication technologies. As PI on several National Science Foundation (NSF) and US Department of Education grants that explore interactions between technology and education, he develops interactive simulation modules that combine standards, curriculum, supercomputing resources and desktop computers. He is a multi-year winner of the Undergraduate Computational Engineering and Science award sponsored by the US Department of Energy. In recognition of Dr. Panoff's efforts in college faculty enhancement and curriculum development, the Shodor Foundation was named as a NSF Foundation Partner for the revitalization of undergraduate education.

Dr. Panoff currently directs the National Computational Science Institute. along with Shodor's Computational Science Education Reference Desk, a Pathway portal of the National Science Digital Library. Dr. Panoff consults at several national laboratories and is a frequent presenter at NSF workshops on visualization, supercomputing, and networking. Dr. Panoff earned his M.A. and Ph.D. in theoretical physics from Washington University in St. Louis, with both pre- and postdoctoral work at the Courant Institute of Mathematical Sciences at New York University. Wofford College awarded Dr. Panoff an honorary Doctor of Science degree in recognition of his leadership in computational science education.

Stephen Wheat
Stephen Wheat

General Manager, High Performance Computing
Intel

Topic: "The Power of Integration and Democratization"

Slides:   PDF

Talk Abstract

High Performance Computing (HPC) technologies continue to be outpaced by the demand of the HPC user community, as answers to previously daunting questions generate even more daunting questions. The insatiable appetite for performance comes from scientific discovery and the needs to innovate ever more quickly in engineering, finance, animation, and every other domain segment. The ongoing challenges for more performance at lower power demand even greater innovation. Intel is continuing its strategies in bringing ever increasing value to the end user through micro-architecture enhancements, a new processor family, continued software tools and library investments, and its ever useful playbook of integration. In this talk, Dr. Stephen Wheat, General Manager for High Performance Computing, will address the latest of these technologies throughout a story line of the value of integration to the important metrics of perf/watt and perf/$$. Dr. Wheat will also address the challenge of resolving the greatest impediment to the democratization of HPC, along with the value proposition of resolving that challenge. He will provide updates on several efforts that are designed to address this challenge at scale.

Biography

Dr. Stephen Wheat is the General Manager for High Performance Computing at Intel. He is responsible for driving the development of Intel's HPC strategy and the pursuit of that strategy through platform architecture, eco-system development and collaborations. While in this role, Dr. Wheat has influenced the deployment of several Top10 systems and many more Top500 HPC systems.

Dr. Wheat has a wide breadth of experience that gives him a unique perspective in understanding large scale HPC deployments. He was the Advanced Development manager for the Storage Components Division, the manager of the RAID Products Development group, the manager of the Workstation Products Group software and validation groups, and manager of the Supercomputing Systems Division (SSD) operating systems software group. At SSD, he was a Product Line Architect and was the systems software architect for the ASCI Red system.

Before joining Intel in 1995, Dr. Wheat worked at Sandia National Laboratories, performing leading research in distributed systems software, where he created and led the SUNMOS and PUMA/Cougar programs. Dr. Wheat is a 1994 Gordon Bell Prize winner and has been awarded Intel's prestigious Achievement Award. He has a patent in Dynamic Load Balancing in HPC systems. He has also twice been honored as one of HPCwire's People to Watch, in 2006 and 2012.

Dr. Wheat holds a Ph.D. in Computer Science and has several publications on the subjects of load balancing, inter-process communication, and parallel I/O in large-scale HPC systems. Outside of Intel, he is a commercial multi-engine pilot and a FAA certified multi-engine, instrument flight instructor.


BREAKOUT SPEAKERS

Accelerating Science Group
Accelerating Science Group, LSMSA

Tolu Adoun, Eric Dilmore, Katherine Prutz, Austin McMichael, William Watson
Brad Burkman, Matthew Fults, Chris Myles, Ian Gonthier, Sam Fadrigalan
Louisiana School for Math, Science, and the Arts

Topic: "HPC Research in High School"

Slides:   PDF

Talk Abstract

Typical high school (and undergraduate) Computer Science courses teach students to write serial code on their multicore laptops. How can a motivated group of high school students reach further, how can the model be replicated, and how can the community support it?

Biography

The Accelerating Science Group studies ways to accelerate computation to increase the pace of scientific discovery and technological innovation. The nine students come from south Louisiana, but study at the Louisiana School for Math, Science, and the Arts, adjoining the campus of Northwestern State University of Louisiana, in Natchitoches. They have a LittleFe cluster and accounts on LONI and XSEDE.

Most of the members have taken C++ and Data Structures, and half have experience with OpenMP and MPI. Courses they are taking include Quantum Mechanics, Polymer Chemistry, Calculus III, Mathematics for Physics, Mobile App Development, and Web Development.

Their mentor, Brad Burkman, teaches mathematics at the Louisiana School, and is the XSEDE Campus Champion for the Louisiana Scholars' College of Northwestern State University of Louisiana. He earned a BA in English in 1993 from Wheaton College in Illinois, and an MA in mathematics in 2001 from the State University of New York at Buffalo.


Daniel Andresen
Daniel Andresen

Associate Professor
Department of Computing & Information Sciences
Kansas State University
Director
Institute for Computational Research

Birds-of-a-Feather Topic: "Supporting Research Computing and Data Needs Institutionally and Statewide"

Abstract

Research based on computation modeling/analysis is foundational across many disciplines, leading to increased demands on our Cyberinfrastructure (CI) at national and campus levels. In this Birds-of-a-Feather (BoF) session, aimed at both CI consumers — scientists, educators, students — and CI providers — HPC specialists, Extreme Science and Engineering Discovery Environment (XSEDE) Campus Champions, HPC system administrators — we plan to discuss what is working, and what isn't, in bridging the gap between computational resources and using them effectively to support science discovery and engineering design. How are our experiences with XSEDE? How are we addressing Big Data? How do we justify our funding effectively to administrators and others in an era of tight budgets?

Biography

Daniel Andresen, Ph.D. is an associate professor of Computing & Information Sciences at Kansas State University and Director of the Institute for Computational Research. His research includes embedded and distributed computing, biomedical systems, and high performance scientific computing. Dr. Andresen coordinates the activities of the K-State research computing cluster, Beocat, and advises the local chapter of the Association for Computing Machinery (ACM). He is a National Science Foundation CAREER award winner, and has been granted research funding from the NSF, the Defense Advanced Research Projects Agency (DARPA), and industry. He is a member of the Association for Computing Machinery, the IEEE Computer Society, the Electronic Frontier Foundation, and the American Society for Engineering Education.

Kate Adams

Research Assistant
Great Plains Network

Topic: "Great Plains Network: What You Have Been Up to Lately?"

Slides:   PDF

Talk Abstract

The Great Plains Network (GPN) is a community of research and education professionals using advanced technologies to enhance the missions of their institutions and the region. GPN advances the efforts of the community by convening, informing and ensuring that networking resources (both technical and people) are available to its 23 university members. GPN has three strategic directions: Community, Networking and Cyberinfrastructure. This presentation will discuss GPN and progress toward objectives in these areas, including a new storage service, upgrading the network to be 100Gb capable, funding for a joint planning project for federated data access to curated data, and participation in the XSEDE Campus Champion program.

Biography

Kate Adams has been with GPN since November of 2009. She is the system administrator, helps facilitate various working groups, helps keep the website up to date, and is also GPN's regional XSEDE champion. She enjoys sewing and historical reenactment in her free time.

Dana Brunson
Dana Brunson

Director
High Performance Computing Center
Adjunct Associate Professor
Department of Computer Science
Oklahoma State University

Talk Topic: "Cowboy Up"

Talk Slides:   PowerPoint   PDF

Talk Abstract

The OSU High Performance Computing Center is deploying Cowboy, the largest externally funded supercomputer in state history. This talk will present the highlights of the National Science Foundation (NSF) Major Research Instrumentation (MRI) proposal, data center expansion, cluster design and deployment, as well as how OSUHPCC is facilitating computational and data intensive research and education.

Biography

Dana Brunson is Director of the High Performance Computing Center and is an adjunct associate professor in the Computer Science Department at Oklahoma State University (OSU). Before transitioning to High Performance Computing in the fall of 2007, she taught mathematics and served as systems administrator for the OSU Mathematics Department. She earned her Ph.D. in Numerical Analysis at the University of Texas at Austin in 2005 and her M.S. and B.S. in Mathematics from OSU. In addition, Dana is serving on the ad hoc committee for OSU's new Bioinformatics Graduate Certificate program and is the XSEDE Campus Champion for OSU.

Greg Clifford
Greg Clifford

Segment Manager
Cray Inc.
Topic: "Extreme Scaling in ISV Applications"
Slides:     PowerPoint     PDF

Talk Abstract

We have seen HPC system dramatically scale up in terms of the compute power and especially compute cores. However, the typical commercial HPC workload has not leveraged this increased scalability. This presentation will examine the requirement for extreme scalability in leading simulations and the status and challenge of scaling major CAE applications to 1000s of compute cores.

Biography

Greg Clifford has worked in the high performance computing (HPC) field for over 25 years, most recently with Cray Inc as Manufacturing Segment Manager. Greg's primary focus has been on application performance on HPC architectures. This has involved close cooperation with application developers and users to improve real performance for production environments. Prior to joining Cray, Greg work for IBM for 10 years on the HPC team and 16 years at Cray Research in the Application department. Greg has an MS in Structural Engineering from the University of Minnesota and has completed the "Executive Management Training" program in the Haas School of Business, University of California, Berkeley.

Bob Crovella
Bob Crovella

Solutions Architect
Tesla Sales
NVIDIA

Topic: "The GPU Computing Ecosystem"

Slides:   PDF

Abstract

A rich ecosystem exists for scientists and developers interested in using Graphics Processing Units (GPUs) to accelerate their applications. This multi-faceted ecosystem is the result of developments over the last 5 years by a variety of vendors and contributors in the areas of GPU-enabled servers, programming languages, applications, compilers, developer tools, platform tools, libraries, and supporting research. We survey this space, with a focus on the interplay of these areas to create a friendly ecosystem for those who want to accelerate their work.

Biography

Bob Crovella leads a technical team at NVIDIA that is responsible for supporting the sales of our GPU Computing products through our Original Equipment Manufacturer (OEM) partners and systems. Bob joined NVIDIA in 1998. Previous to his current role at NVIDIA, he led a technical team that was responsible for the design-in support of our GPU products into OEM systems, working directly with the OEM engineering and technical staffs responsible for their respective products. Prior to joining NVIDIA, Bob held various engineering positions at Chromatic Research, Honeywell, Cincinnati Milacron, and Eastman Kodak. Bob holds degrees from Rensselaer Polytechnic Institute (M. Eng., Communications and Signal Processing) and The State University of NY at Buffalo (BSEE). He resides with his family in the Dallas TX area.

Dave Ellis
Dave Ellis

HPC Architect
U.S. Public Sector
NetApp, Inc.

Topic: "HPC and Big Data: Trends to Watch"

Slides:   PDF

Talk Abstract

Big Data continues to grow ever bigger, pushed by HPC initiatives and by requirements to keep everything, forever. Dave will discuss trends driving Big Data Analytics, Bandwidth and Content Management today, as well as initiatives currently underway to drive Big Data and HPC to limits far beyond current capabilities.

Biography

Dave Ellis is a Professional Services Consultant in the Technical Solutions Team, U.S. Public Sector, NetApp, Inc., with over 34 years of High Tech experience. Dave came to NetApp from Instrumental, Inc., a small consulting firm providing SETA contractor services to several U.S. government agencies, where he was Principal Technologist and a member of the company's CTO staff, where Dave was responsible for tracking, evaluating, consulting on, and implementing High Performance Computing solutions. Dave was Director of HPC Architecture for the Engenio Storage Group of LSI Logic, and has held Senior Systems Engineering positions at Xyratex, Intransa, Silicon Graphics, Data General, Computer Sciences Corporation, Sperry, Applied Information Sciences and Dynamac. Dave served in the U.S. Air Force as an Aircraft Loadmaster and was a Master Instructor in both the USAF Aircraft Loadmaster and Computer Programming schools. His Air Force training led to degrees in Management from Vernon College in Texas, and in Traffic and Transportation Management from the Community College of the Air Force.

Lawrence D. (Larry) Fisher
Larry Fisher

Owner
Creative Consultants

Topic: "Having Fun at Work is Serious Business!"

Slides:   PowerPoint   PDF

Talk Abstract

Humor and fun at work can be a huge distraction. However, they can also be a huge productivity boost. This session demonstrates how to use appropriate humor and fun in the workplace to improve productivity, reduce turnover, and increase morale. Truth is, you do not have to teach people how to have fun at work; you just have to give them permission.

We will discuss appropriate and inappropriate humor, how to tie humor to productivity, and techniques for using humor and fun to increase your own productivity when no one else will .play.. Examples will include the dancing toll booth attendant, the janitor who played eighteen holes of golf every night, and the musical escalator.

Biography

Larry Fisher is owner of Creative Consultants, a management training and development consulting company. He was formerly Assistant Administrator for Human Resource Development Services, Office of Personnel Management, State of Oklahoma, where he administered a statewide management training and professional development program for state employees. He also worked at the University of Oklahoma in administration, management development, and visiting lecturer for the Michael F. Price College of Business and the Department of Political Science. He has consulted with many private and public organizations including Municipal Electric Systems of Oklahoma, Oklahoma Gas and Electric, Wichita State University, the states of Ohio, Kansas, South Dakota, Iowa, and Minnesota, the City of Tulsa, the United States Air Force, Boeing, a number of oil companies, and many others. He is known nationally through memberships in the American Society for Training & Development (ASTD), the National Association for Government Training and Development (NAGTAD), and the International Association for Continuing Education and Training (IACET). He served as national president of NAGTAD, a commissioner for IACET, and president of the Oklahoma City Chapter of ASTD. He has taught for Oklahoma State University, Rose State College, the University of Phoenix, Oklahoma City campus; and DeVry University's Keller Graduate School of Management. He attained the status of Certified Personnel Professional for the state of Oklahoma. Larry has a B.S. in Chemistry from Oklahoma State University and a M.A. in Public Administration from the University of Oklahoma. He has completed all coursework for a Ph.D. in Political Science. Larry is a former Commissioner on the City of Norman Board of Parks Commissioners and is a founding member of the Norman Parks Foundation. He and wife Carol have three children, seven grandchildren, and two great-grandchildren.

Karl Frinkle
Karl Frinkle and Mike Morris

Associate Professor
Department of Mathematics
Southeastern Oklahoma State U

Topic: "Building Courses Around MPI and CUDA with a LittleFe"
(with Mike Morris)

Slides:   PowerPoint   PDF

Abstract

With the future of programming leaning heavily into the parallel realm, it is of the utmost importance to get students in the CS fields introduced to parallel programming as early as possible. Two questions quickly arise: (1) Can we teach parallel programming to students with no programming experience in the first place? (2) Will these students learn as well as those who have already had programming courses?

Thanks to our involvement with OSCER and with assistance from the National Computational Science Institute (NCSI) programs, we were able to acquire a LittleFe baby supercomputer, and with it, the tools to teach students how to program in parallel. We want to take you along on our journey through a year-long course that we have built based on LittleFe, MPI and CUDA.

Biography

Karl Frinkle is an applied mathematician who earned his PhD from the University of New Mexico. He is deeply interested in numerical simulations, and most recently in parallel programming. Karl joined the SE Mathematics department in 2005, and thoroughly enjoys teaching parallel programming courses with Mike Morris through the CS department. He also can be found teaching physics courses in the Physics department.

Erin M. Hodgess
Erin M. Hodgess

Associate Professor
Department of Computer and Mathematical Sciences
University of Houston ‐ Downtown
Purdue University
Topic: "R with MPI and CUDA on the Little Fe Cluster"

Slides

PDF

Abstract

Coming soon

Biography

Erin M. Hodgess is an associate professor of Mathematical Sciences at the University of Houston ‐ Downtown. She earned her B.S. in from the University of Dayton, her M.A. from the University of Pittsburgh, and her Ph.D. from Temple University. Her research and publication emphases include time series and statistical computing. She has taught numerous undergraduate and graduate courses for the Department of Computer and Mathematical Sciences, including statistics, time series and forecasting, and applied regression, and she has served as a faculty student mentor in a National Science Foundation grant program designed to develop expertise in supercomputing facilities. Dr. Hodgess is a member of the American Statistical Association, the Institute of Mathematical Statistics, and the International Statistical Institute.

Jan Jitze Krol
Jan Jitze Krol

Systems Engineer
High Performance Computing and Life Sciences
DataDirect Networks
Topic: "Object Storage in Cloud Computing and Embedded Processing"
Slides:   PowerPoint   PDF

Talk Abstract

Due to the rise of machine generated data, massive computational simulations and the emergence of data analytics as the "fourth pillar" of science, traditional data ingest/storage/processing and distribution methods are increasingly challenged by growing and complex data volumes. Data management and infrastructure scalability have now become fundamental business imperatives for data-driven scientific organizations. Whereas these organizations are also recognizing the enabling capabilities of implementing optimized processes and tools to harness the power of this information and accelerate the pace of innovation and insight.

DataDirect Networks (DDN) — the global leader in high-scale and data-intensive computing for over a decade — is a provider of highly scalable and efficient collaborative research storage infrastructure to organizations and consortiums that depend on unrestricted, always-on access to globally available data volumes. In this talk, DDN will cover the state-of-the art in Big Data and Cloud Storage infrastructure technology, as well as best practices as developed in partnership with several of the world's largest HPC and Big Data Research organizations. In addition, we will address the computing problem of getting to data faster. Research has shown that the link between the compute nodes and the data on disks is very long in terms of timing, and the protocol overhead is often larger than the payload. This presentation will also provide information about an initiative at DDN to shorten that path.

Biography

Jan Jitze Krol is a Systems Engineer at Data Direct Networks where he provides technical support for the sales executives at DDN. Jan Jitze joined DDN in July 2011 after holding a previous position at Panasas as a Systems Engineer. Jan Jitze holds a masters degree in electrical engineering of the Hogere Technische School (HTS) in Groningen, The Netherlands. He lives with his wife, two dogs, two cats and a parrot in scenic Oceanside CA.

Mike Morris
Karl Frinkle and Mike Morris

Assistant Professor
Department of Chemistry, Computer and Physical Sciences
Southeastern Oklahoma State U

Topic: "Building Courses Around MPI and CUDA with a LittleFe"
(with Karl Frinkle)

Slides:   PowerPoint   PDF

Abstract

With the future of programming leaning heavily into the parallel realm, it is of the utmost importance to get students in the CS fields introduced to parallel programming as early as possible. Two questions quickly arise: (1) Can we teach parallel programming to students with no programming experience in the first place? (2) Will these students learn as well as those who have already had programming courses?

Thanks to our involvement with OSCER and with assistance from the National Computational Science Institute (NCSI) programs, we were able to acquire a LittleFe baby supercomputer, and with it, the tools to teach students how to program in parallel. We want to take you along on our journey through a year-long course that we have built based on LittleFe, MPI and CUDA.

Biography

Mike Morris' degrees are in math, but he has always said he wound up on the business end of a computer. He taught Computer Science (CS) in the early 80s after working as an Operations Research Analyst for Conoco in Ponca City OK. Mike left teaching and spent 15 years doing various things in the CS industry before returning to Southeastern Oklahoma State to once again teach CS, where he remains today.

Jeff Pummill
Jeff Pummill

Manager for Cyberinfrastructure Enablement
Arkansas High Performance Computing Center
University of Arkansas

Talk Topic: "Introduction to Free HPC Resources: XSEDE"

Talk Slides:   PowerPoint   PDF

Talk Abstract

XSEDE is a comprehensive set of advanced, heterogeneous high-end digital services, integrated into a general-purpose infrastructure. This presentation will provide an overview of XSEDE with an emphasis on how XSEDE is working to support the computational science needs of campus researchers and educators. The talk will include a basic overview of XSEDE, as well as information on the allocation process, resource selection, and usage models. In addition, there are opportunities for researchers, educators, and students to engage and benefit.

Biography
Jeff Pummill is the Manager for Cyberinfrastructure Enablement at the University of Arkansas. He has supported the high performance computing activities at the University of Arkansas since 2005, serving first as Senior Linux Cluster Administrator before his current role, and has more than a decade of experience in managing high performance computing resources. Jeff is also the XSEDE Campus Champion for the University of Arkansas, and is a very active contributor at the national level on the Campus Champion Leadership Team.

James D. Stevens
James D. Stevens

Computer Scientist
559th Software Maintenance Squadron
Tinker Air Force Base, OK

Topic: "Using a GPU to Compute the Advection and Computational Mixing Terms of a Numerical Weather Prediction Model" (with Daniel B. Weber)

Slides:   PowerPoint   PDF
PowerPoint

Talk Abstract

The PC gaming industry has assisted in the development of very fast GPU's (Graphics Processing Units) for use in displaying graphics images at increasing resolution and frame refresh rates. NVIDIA's CUDA (Compute Unified Device Architecture) interface allows software developers to perform general purpose computing using GPUs (GPGPU) — to utilize the GPU's massively parallel architecture for applications other than graphics rendering. Scientists and engineers are exploring the usefulness of this new interface to the solution of complex real world computationally based applications such as weather prediction and molecular modeling. In this talk, we report on the application of the CUDA interface, using the Portland Group Fortran Compiler and the NVIDIA Tesla Tesla C1060 GPU, to accelerate the advection and computational mixing components of numerical weather prediction model. Computation speedups of up to 70x were observed for the advection and computational mixing calculations — from 3.5 GFLOPS (billion floating-point operations per second) on an Intel based single core CPU to as fast as 250 GFLOPS on the Tesla C1060 GPU. An analysis, based on a number of factors including the ratio of mathematical operations to device memory references, is presented, to help other potential users of this technology decide whether their application can efficiently utilize a GPU.

Biography

James Stevens earned a Bachelor's degree in Computer Science at Washington University in St. Louis in 2010, and graduated with a Master's in Computer Science in 2011. His university studies focused on developing control software for mobile robots. James was selected for the SMART internship program with the US Department of Defense and completed two summer internships at Tinker Air Force Base where he was introduced to High Performance Computing methods, including MPI, OpenMP, the PAPI hardware performance measurement tool, and general purpose GPU programing with NVIDIA's CUDA. He applied these methods to analyze and compare matrix operations and finite difference computations on CPU and GPU type processors. James was hired by the 559th Software Maintenance Squadron at the US Air Force Air Logistics Complex in Oklahoma, where he completed a GPGPU optimization project that ported Navier-Stokes and Maxwell's equations solvers to the GPU. He is also part of a team developing an open source flight simulator with enhanced meteorological data. Through these projects, James has developed expertise in general purpose GPU kernel optimization.

Dr. Daniel B. Weber
Daniel B. Weber

Computer Scientist, Technical Expert
559th Software Maintenance Squadron
Tinker Air Force Base, OK

Topic: "Using a GPU to Compute the Advection and Computational Mixing Terms of a Numerical Weather Prediction Model"
(with James D. Stevens)

Slides:   PowerPoint   PDF

Talk Abstract

The PC gaming industry has assisted in the development of very fast GPU's (Graphics Processing Units) for use in displaying graphics images at increasing resolution and frame refresh rates. NVIDIA's CUDA (Compute Unified Device Architecture) interface allows software developers to perform general purpose computing using GPUs (GPGPU) — to utilize the GPU's massively parallel architecture for applications other than graphics rendering. Scientists and engineers are exploring the usefulness of this new interface to the solution of complex real world computationally based applications such as weather prediction and molecular modeling. In this talk, we report on the application of the CUDA interface, using the Portland Group Fortran Compiler and the NVIDIA Tesla Tesla C1060 GPU, to accelerate the advection and computational mixing components of numerical weather prediction model. Computation speedups of up to 70x were observed for the advection and computational mixing calculations — from 3.5 GFLOPS (billion floating-point operations per second) on an Intel based single core CPU to as fast as 250 GFLOPS on the Tesla C1060 GPU. An analysis, based on a number of factors including the ratio of mathematical operations to device memory references, is presented, to help other potential users of this technology decide whether their application can efficiently utilize a GPU.

Biography

Dr. Dan Weber has 26 years of experience in the development and maintenance of numerical weather prediction systems, flight simulators, and Linux clusters and supercomputers. In addition to performing research and writing papers on thunderstorm dynamics, numerical weather prediction, and computer software optimization techniques targeted at massively parallel computers, he has taught courses in weather forecasting techniques and severe and unusual weather, and has held positions with the National Weather Service, at the University of Oklahoma (OU) and in private industry. Dr. Weber is currently employed at the US Air Force Air Logistics Center in Oklahoma and leads modeling and simulations efforts to incorporate complex weather data into flight simulation and weapon systems and the optimization of computational methods on scalar and GPU (Graphics Processing Unit) processors.

Dr. Weber graduated with undergraduate and graduate degrees in Meteorology and Geology from the University of Utah and a doctoral degree in Meteorology from OU.

Dr. Weber graduated with undergraduate and graduate degrees in Meteorology and Geology from the University of Utah and a doctoral degree in Meteorology from the University of Oklahoma (OU). His current research interests include optimization of models on General Purpose computation on Graphics Processing Units (GPGPU) technology and urban weather prediction. Dr. Weber has participated in several forensic weather projects and has supported several real-time weather forecasting efforts via the installation and optimization of a state of the art weather prediction system that he helped develop at OU.

Jun (Eva) Yi
Jun (Eva) Yi

Research Assistant Professor
Department of Chemistry & Biochemistry
University of Oklahoma

Topic: "WebMO: A User Friendly Computational Platform for Chemical Educators"

Slides:   PDF

Talk Abstract

The diatomic molecule "nitric oxide," NO, is important in mammals, as it is responsible for triggering a target enzyme involved in blood pressure regulation. In addition, NO can be oxidized to harmful NOx species that can kill invading bacteria. It is therefore not surprising that bacteria have evolved specific Fe-enzymes to detoxify this NO molecule, by coupling two NO molecules to generate the harmless "laughing gas," N2O. There is no experimental data available regarding the productive NO attack on heme-NO species to yield the NO coupled product. Thus, we employed density functional theory (DFT) calculations to provide molecular level insight into this important reaction.

DFT calculations for this research were carried out with the DFT functional BP86 implemented in the Gaussian-09 suite through the WebMO interface. WebMO is a user-friendly, web-based interface to computational chemistry packages (e.g., Gaussian, Molpack). It is easy to use for undergraduate research, and is also flexible enough for higher-level computational chemistry research. We are grateful to the University of Oklahoma for the use of the OSCER supercomputing facilities for this project.

Biography

Dr. Jun (Eva) Yi was born in Changsha, a medium size town in the Central South part of China. After receiving her MS degree in Oceanography from Xiamen University, she joined the Department of Chemistry & Biochemistry at the University of Oklahoma under the supervision of Dr. George B. Richter-Addo. Her research interests include the synthesis of biologically relevant organic S-nitroso compounds, determination of biomarkers from chemical and biochemical reactions, and structure-function studies of biologically important nitrogen oxides with mammalian heme proteins. Recently, she has been using Gaussian-09 implemented in WebMO (a web-based computational chemistry interface) to study the possible mechanism of the nitric oxide (NO) coupling reaction mediated by iron porphyrins.

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