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OKLAHOMA SUPERCOMPUTING SYMPOSIUM 2014



OSCER

OU IT

OK EPSCoR

Great Plains Network


Table of Contents


PLENARY SPEAKERS

Irene M. Qualters
Irene M. Qualters

Division Director
Advanced Cyberinfrastructure Division (ACI)
Directorate for Computer & Information Science & Engineering (CISE)
National Science Foundation

Topic: "Collaborative Cyberinfrastructure to Explore 21st Century Research and Education Frontiers"

Slides:   PowerPoint   PDF

Abstract

Ubiquity in mobile devices, social networks, sensors, advanced computing and instruments have created a complex data-rich environment ripe for new scientific and engineering advances. In this world of computational and data-enabled science and engineering, a dynamic and innovative yet cohesive cyberinfrastructure of technologies, services, and people, is fundamental to all aspects of the discovery process. This talk will focus on National Science Foundation's vision, strategy and support of collaborative cyberinfrastructure.

Biography

Irene M. Qualters is currently Division Director of Advanced Cyberinfrastructure (ACI) at the National Science Foundation (NSF). ACI is responsible for programs with a total annual budget in FY2013 of over $200 million. These programs support the acquisition, development, and provisioning of state-of-the-art cyberinfrastructure resources, tools, and services essential to the conduct of 21st century science and engineering research and education. ACI is also responsible for the NSF-wide vision, strategy, planning and coordination for research cyberinfrastructure. She joined NSF as a Program Director in December 2009, participating in multidisciplinary, interagency and international activities as well as overseeing several major computational projects within the division's portfolio, including the Blue Waters project at the National Center for Supercomputing Applications (NCSA) at the University of Illinois at Urbana-Champaign (UIUC) and the Stampede project at Texas Advanced Computing Center (TACC) at the University of Texas at Austin. Irene has a Master's degree in Computer Science. Prior to beginning her NSF responsibilities, she had a distinguished 30-year career in industry, with executive leadership positions for research and development organizations within the technology sector. During her twenty years at Cray Research, in increasingly larger leadership roles, she participated in the development of the first commercially successful vectorizing compiler, the first multiprocessor version of Unix, and Cray's landmark massively parallel computer, the T3E. Subsequently, for six years, as Vice President, she led the Research Information Systems for Merck Research Labs (MRL). She is expert in parallel computer system architectures and in a wide variety of software from scientific applications to compilers to file systems and operating systems.

Henry Neeman
Henry Neeman

Assistant Vice President/Research Strategy Advisor
Information Technology
Director
OU Supercomputing Center for Education & Research (OSCER)
Information Technology
Associate Professor
College of Engineering
Adjunct Associate Professor
School of Computer Science
University of Oklahoma

Topic: "OSCER State of the Center Address"

Slides:   PowerPoint   PDF

Talk Abstract

The OU Supercomputing Center for Education & Research (OSCER) celebrated its 13th anniversary on August 31 2014. In this report, we examine what OSCER is, what OSCER does, what OSCER has accomplished in its 13 years, and where OSCER is going.

Biography

Dr. Henry Neeman is the Director of the OU Supercomputing Center for Education & Research, Assistant Vice President Information Techology – Research Strategy Advisor, Associate Professor in the College of Engineering and Adjunct Associate 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.

Addison Snell
Addison Snell

Chief Executive Officer
Intersect360 Research

Topic: "Software Evolution in HPC"

Slides:   PowerPoint   PDF

Abstract

Drawing from the latest research studies, Addison Snell of Intersect360 Research will discuss the evolution of middleware and application software in HPC. With multi-core, many-core, and cloud all altering the computational landscape, we have seen significant shifts in software models, particularly in commercial HPC markets, where open source is becoming more prevalent. This presentation will include excerpts from a wide range of research studies, including data on installations and budgets, forecast models, a deep-dive study on Big Data trends, and a soon-to-be-released study on the benefits to U.S. industry of government investment in supercomputing, published in conjunction with the U.S. Council on Competitiveness.

Biography

Addison Snell is the Chief Executive Officer of Intersect360 Research and a veteran of the High Performance Computing industry. He launched the company in 2007 as Tabor Research, a division of Tabor Communications, and served as that company's Vice President/General Manager until he and his partner, Christopher Willard, Ph.D., acquired Tabor Research in 2009. During his tenure, Addison has established Intersect360 Research as a premier source of market information, analysis, and consulting. He was named one of 2010's "People to Watch" by HPCwire.

Addison was previously an HPC industry analyst for IDC, where he was well-known among industry stakeholders. Prior to IDC, he gained recognition as a marketing leader and spokesperson for SGI's supercomputing products and strategy. Addison holds a master's degree from the Kellogg School of Management at Northwestern University and a bachelor's degree from the University of Pennsylvania.

Stephen Wheat
Stephen Wheat

Director, HPC Solutions, Platform Collaboration and Systems Division
Intel

Topic: "HPC's Cadence – Onwards and Upwards"

Slides:   PDF

Talk Abstract

The HPC market segment's insatiable demand for performance appears to continue unabated. Fueled by competition, as well as national and economic security, the adoption and expansion of the application of HPC continues to drive the need for innovation of the tools themselves. At the same time, HPC platform complexity is increasing and the cadence of refinement of designs and new product introduction continues at a challenging rate. In this talk, I review the environmental conditions as they have continued to change. Then I address Intel's key strategies to corral myriad technology advances into leadership HPC solutions for rapid and confident deployments while maintaining applicability to the spectrum of HPC solutions deployments, whether large or more modest. Giving a sense of what is coming, this talk is meant to inspire readiness and broader innovation.

Biography

Dr. Stephen Wheat is the Director of HPC Solutions at Intel. In that role, he is responsible for the development of Intel's HPC solutions business strategy and the pursuit of that strategy through platform architecture, eco-system development and collaborations. Dr. Wheat was previously General Manager for Intel HPC; in that role, he influenced the deployment of several Top10 systems, even more Top500 HPC systems, and pursued the democratization of HPC through his Missing Middle initiative. He possesses a depth of knowledge and breadth of experience that gives him a unique perspective in understanding large scale HPC deployments. Also at Intel, he was the Advanced Development manager for the Storage Components Division, the manager of the RAID Products Development group, the manager of the Workstation 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, where he performed leading research in distributed systems software. In that role, he created and led the SUNMOS and PUMA/Cougar programs. A 1994 Gordon Bell Prize winner, Dr. Wheat has also been awarded Intel's prestigious Achievement Award and was a top pick for the HPCwire People to Watch List in 2006 and again in 2011. He has a patent in Dynamic Load Balancing in HPC systems.

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. On a personal note, Wheat is also a commercial multi-engine pilot and a FAA certified multi-engine, instrument flight instructor.


BREAKOUT SPEAKERS

Erik Alred
Erik Alred

Graduate Student
Department of Chemistry & Biochemistry
University of Oklahoma

Topic: "Application of Computational Biophysical Techniques to Amyloid Systems"

Slides: available after the Symposium

Talk Abstract

Amyloid fibrils are mis-folded proteins that have been shown to be associated with many diseases, including life-changing illnesses such as Alzheimer's and diabetes. In several cases, the previously suspected vectors of cytotoxicity, large fibril formations, have been shown to be less toxic than the smaller, oligomeric states. The transition between oligomers and fibril states involves structural changes in the individual protein chains, creating the necessity for data relating to the structure of these chains in the amyloid aggregates. Computational techniques employing biophysics and molecular dynamics simulations allow chemists and computer scientists to probe molecules on scales inaccessible in a normal laboratory environment, that of very short time ranges and single aggregate experiments. In this talk, I will discuss the applications of these techniques towards the understanding of physical and molecular factors that explain amyloid fibrils structures.

Biography

Erik Alred performed his undergraduate studies at the University of Houston Department of Chemistry. While there, he also worked as a part time researcher at MD Anderson Cancer Center. After graduating with a B.S. in Chemistry, he went to work in the chemical industry as a research technician in Albermarle Catalysts Analytical and Research Development Department. He is currently working in Dr. Ulrich Hansmann's group as a graduate student. His current research interests include all atom molecular dynamic simulations, probing of structural properties of amyloids, docking studies of small molecules, method development for novel computational techniques, mechanisms of protein folding, and computational study of the protein aggregation process.

Daniel Andresen
Daniel Andresen

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

Topic: "Minimum Time, Maximum Effect: Introducing Parallel Computing in CS0 and STEM Outreach Activities Using Scratch"

Slides:   PDF

Abstract

This talk discusses our experiences and outcomes using Scratch to teach parallel computing concepts to students just learning about computer science. We presented versions of this material to middle school and high school girls during a summer camp and then to undergraduate university students enrolled in an introductory computer science course. Using the Scratch development environment, students were able to build, modify and observe the changes in the performance of applications that utilize multi-threaded, concurrent operations. This includes some scenarios that involve more advanced topics, such as race conditions. We first used this exercise in Summer 2013 with a group of middle school girls as part of a summer STEM camp at Kansas State University. After our lesson, 22 of 41 students surveyed showed an interest in a job using high performance computing to solve problems, and 27 of 37 said they were capable of learning to write computer programs.

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.

Workalemahu M. Berhanu
Workalemahu M. Berhanu

Postdoctoral Research Associate
Department of Chemistry & Biochemistry
University of Oklahoma

Topic: "Inter-species Cross-seeding: Stability and Assembly of Rat-Human Amylin Aggregates"

Slides:     PDF

Talk Abstract

Diseases such as type 2 diabetes, Alzheimer's and Parkinson's share as a common feature the accumulation of mis-folded disease-specific protein aggregates into fibrillar structures, or plaques. These fibrils may either be toxic by themselves, or act as reservoirs for smaller cytotoxic oligomers. This suggests to investigate molecules as potential therapeutics that either reduce fibril formation or increase fibril stability. One example is rat amylin, which can inhibit aggregation of human amylin, a hallmark of type 2 diabetes. We use molecular dynamics to compare the stability of various preformed aggregates, built out of either human amylin, rat amylin, or mixtures of both. We considered two types of fibril-like oligomers: a single-layer in-register conformation, and a double-layer conformation in which the first U-shaped layer consists of rat amylin and the second layer of human amylin. Our results explain the weak amyloid-inhibiting properties of rat amylin and suggest that membrane leakage due to pore formation is responsible for the toxicity of rat amylin observed in a recent experiment. Together, our results put in question the use of rat amylin or the similar FDA approved drug pramlintide as an inhibitor of human amylin aggregation. They also point to mixed human-rat amylin fibril-like oligomers as possible model-systems for studies of amyloid formation that involve cross-species transmission.

Biography

Workalemahu M. Berhanu graduated in 2011 from the University of Central Florida with a PhD in Chemistry. Since January 2012, he has been working in Prof. Ulrich Hansmann's group in the Department of Chemistry & Biochemistry at the University of Oklahoma as postdoctoral research associate. His research interest has been targeted towards understanding the mechanism of protein folding, protein mis-folding, protein aggregation, cross seeding of aggregates, toxicity mechanism and their inhibition based on bimolecular simulations.

Manikanthan Bhavaraju
Manikanthan Bhavaraju

Postdoctoral Research Associate
Department of Chemistry & Biochemistry
University of Oklahoma

Topic: "Structural Analysis of a Non-Amyloid Protein and an Amyloid Fibril"

Slides: available after the Symposium

Talk Abstract

The most common form of systematic amyloidosis is associated with the light chain amyloidosis and is related to the overproduction of the free monoclonal light chains plasma cells in the bone marrow. Due to various physiochemical conditions, such as change in pH, salt concentration, temperature, rare mutations, etc., the light chain proteins undergo unfolding and form amyloid fibril or aggregates. Six different residues were individually mutated to explore the effect of single point mutation on a non-amyloid protein. An amyloid protein was taken and was mutated to a non-amyloid protein and vice-versa, to analyze the structural difference between them. The root mean square fluctuation of the residues 40-60 in R61N, D82I, and A84T mutant systems were higher than a wild type non-amyloid protein and may initiate the unfolding process. Further, an amyloid fibril model was considered and various residues were altered to build a non-amyloid fibril model. For both the systems the Cα- Cα distance between various residues involved in the monomer-monomer and dimer-dimer interaction region were measured. The residues in the dimer-dimer region were close than the residues in the monomer-monomer interaction phase. Thus, the dimer-dimer interaction may play a major role in the aggregation process.

Biography

Manikanthan Bhavaraju attended graduate school at Mississippi State University and received a PhD in Chemistry in 2013. Since May 2014, he has been working as a Postdoctoral Research Associate in Dr. Ulrich Hansmann's group in the Department of Chemistry & Biochemistry at the University of Oklahoma. During 2005-2007, he worked as a Lecturer in the Department of Chemistry at Muffakham Jah College of Engineering and Technology in India. His research interests include atomistic molecular dynamics simulations, docking studies, theoretical calculations, and studying protein folding mechanisms and aggregation processes.

Keith Brewster
Keith Brewster

Senior Research Scientist and Associate Director
Center for Analysis & Prediction of Storms
University of Oklahoma

Topic: "Interstate Data Moving and the Last Block Problem: Lessons Learned in CAPS Spring Experiment 2014"

Slides:   PowerPoint   PDF

Talk Abstract

In Spring of 2014, for the first time, CAPS endeavored to send complete high resolution 4D numerical weather prediction forecast files from the National Institute for Computational Sciences (NICS) in Oak Ridge TN to forecasters in the Hazardous Weather Testbed in the National Weather Center at the University of Oklahoma. Having the complete files would allow the use of 3D visualization tools and exploration of the forecast output not previously possible. As weather forecasts, the data were very perishable and prompt reliable throughput was essential. The issues around moving very large datasets in real time halfway across the country are explored from the end-user perspective, with some lessons learned and some future solutions presented.

Biography

Keith Brewster is a Senior Research Scientist at the Center for Analysis and Prediction of Storms at the University of Oklahoma and an Adjunct Associate Professor in the OU School of Meteorology. His research involves data assimilation of advanced observing systems for high resolution numerical weather analysis and prediction, including data from Doppler radars, satellites, wind profilers, aircraft and surface mesonet systems. He earned an M.S. and Ph.D. in Meteorology from the University of Oklahoma and a B.S. from the University of Utah.

Dana Brunson
Dana Brunson

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

Topic: "Advancing Research Computing on Campus and Beyond"

Slides:   PDF

Abstract

The demand for computational resources, support, and expertise among the academic community continues to grow with each passing year and can quickly surpass an institution's capacity to meet researchers' needs. The return on investment in these resources can lag behind the initial investment causing challenges in developing an institutional commitment for funding centralized highly available cyberinfrastructure. In this session, we will discuss the approach taken at OSU to develop these resources utilizing external funding, cooperation and collaboration with others, and attention to specific needs of the campus community.

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). 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. program Dana is co-lead of the OneOklahoma Cyberinfrastructure Initiative (OneOCII) and is a member of the XSEDE Campus Champion leadership team.

Nick Davis
Nick Davis

Assistant Professor of Research
Department of Medical Informatics
School of Community Medicine
University of Oklahoma - Tulsa

Topic: "Rapid Calculation of Medication Adherence Using Parallel Computing with R and Python"

Slides:   PDF

Abstract

Medication non-adherence is an issue affecting the majority of Americans, negatively impacting patient health outcomes as well as being a burden on the U.S. economy. Using electronic pharmacy claims data from the Oklahoma Health Care Authority, medication adherence is calculated for a subset of patients using the recommended Proportion of Days Covered (PDC) method. Performance across a number of languages and tools is compared, and the techniques employed to parallelize the code discussed. Reducing overall runtimes allows for rapid calculation and subsequent analysis of the data. Python and its multiprocessing package are shown to outperform competing methods in execution, and offer other advantages as well.

Biography

Dr. Nick Davis is Assistant Professor of Research in Medical Informatics at the University of Oklahoma-Tulsa School of Community Medicine. He received his BS in Computer Science with a minor in Mathematics from the University of Tulsa in 2002, his MS in Computer Science with a focus in Information Security from the University of Tulsa in 2004, and his PhD in Computer Science from the University of Tulsa in 2012. For his doctoral work at TU, Dr. Davis performed research in bioinformatics, focusing on genomic analysis of immune response data sets and analysis of fMRI brain imaging data to identify regions of interest. In addition to his academic experience, Dr. Davis has accumulated over a decade of industry experience in a variety of technology roles, such as software development and architecture, network and system administration, and information security, including being a Certified Information Systems Security Professional (CISSP).

Dr. Davis's research interests include analysis of electronic health record and claims data, data science algorithms and tools, machine learning/statistical inference, medication adherence, integrative analysis of heterogeneous biological data sets, and high performance computing.

James W. Ferguson
James Ferguson

Education, Outreach, and Training Director
National Institute for Computational Sciences
University of Tennessee Knoxville

Topic: "XSEDE Campus Bridging Tools"

Slides:   PDF

Talk Abstract

While many researchers are often able to easily get allocations and accounts on national resources, the overall impression for a new user of large scale resources is frequently, "Now what?" Campus Bridging attempts to make national scale resources appear proximal to the researcher through a combination of education and training, data management and execution management services that allow for users to access resources as easily as if they were attached to the user's own workstation or other local resource. The XSEDE Campus Bridging team focuses on advocating a common means of access to national resources (InCommon authentication), software packages for campus system administrators, gathering requirements from campus and local users on software packages to be implemented by XSEDE, and providing opportunities to interact with new software for use in XSEDE.

Biography

Jim Ferguson is the Director of Education, Outreach & Training for the National Institute for Computational Sciences (NICS) at the University of Tennessee Knoxville. His responsibilities include coordinating a wide range of outreach and education related activities associated with NICS, as well as varied responsibilities as a level 3 manager for Student Programs in the Education & Outreach area of the XSEDE project. Jim has served on many workshop and conference organizing committees, with current efforts including the upcoming SCxy Conferences and the International HPC Summer School series.

Before joining NICS, Jim's focus was programming for, training, and educating users of high performance computers and networks. Jim's previous experience includes positions at Pratt & Whitney Aircraft and the National Center for Supercomputing Applications, including significant roles in NSF-funded projects like the National Laboratory for Applied Network Research and Web100. Jim is an alumnus of Rose-Hulman Institute of Technology.

Karl Frinkle
Karl Frinkle and Mike Morris

Associate Professor
Department of Mathematics
Southeastern Oklahoma State University

Topic: "Getting HPC into Regional University Curricula with Few Resources"
(with Mike Morris)

Slides:   PowerPoint   PDF

Abstract

We showcase our successful project of injecting high performance computing (HPC) into the traditional computer science curriculum at Southeastern Oklahoma State University. We incorporated a three-semester sequence of parallel programming courses, with the third course focusing on a research-level mathematical project that was executed on OU's supercomputer. Emphasis was placed on utilizing Open MPI and CUDA libraries along with parallel algorithm analysis and file I/O optimization. We recruited students with varied CS backgrounds for the program, some with only CS-1 in their portfolios. These courses are currently being followed with a more hardware-oriented course this fall, which will be profiled in the talk. We will discuss our approach to making this a successful sequence of courses and divulge many of the tips and tricks we have learned from our efforts.

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.

Zane Gray
Zane Gray

IT Architect II: Manager of Data and Telecommunications
Information Technology
University of Oklahoma

Topic:
"Synergistic Opportunities for Computational Resource Providers and Local IT"

Slides:   PowerPoint   PDF

Talk Abstract

How do high-speed data paths benefit research computing, and should you care? This talk explores the means of engaging local Information Technology resources to build two-way, collaborative partnerships that enable the achievement of research goals. We will discuss examples of how this relationship benefits local IT through exposure to cutting edge technologies prior to introduction into the campus or enterprise environment — a selling point in an affiliation that has traditionally been more "take" than "give."

We will also discuss when circuit services, Science DMZ's, and Research and Education Networks are appropriate enough to warrant engagement with local or regional IT resources.

Biography

Zane Gray is the Data and Telecommunications Manager for the University of Oklahoma's Norman Campus. He received his Bachelor of Science in Chemical Engineering from OU in 1996. Before returning to OU as a network engineer, he was employed as a civilian with the United States Air Force, and deployed computer networks throughout the United States. At OU, he collaborates with a team of highly talented network associates; oversees the daily operations and maintenance of the campus computer network; charts the direction of a network design that supports tens of thousands of devices; interacts with other IT professionals, faculty, and students; and faces the day to day challenges of change with a smile.

Saeed Iqbal
Saeed Iqbal

Principal Systems Engineer
Global Solutions Engineering - HPC
Dell
Topic: "Performance and Power Implications of Hardware Accelerators"

Slides
PDF

Abstract

The latest hardware accelerators are powerful parallel processors. These accelerators are capable of providing quantum improvements in performance and performance per watt across a broad range of HPC applications. However, to fully realize these improvements for a given application, a balanced HPC cluster design is important. This talk highlights some of the major issues encountered during such HPC cluster design. We will also utilize High Performance Linpack (HPL) and other commonly used applications to analyze performance and performance per watt of compute nodes. The general aim is to provide information and introduce some tools to enable accelerator enabled HPC cluster designs.

Biography

Saeed Iqbal is a principal systems engineer in the global HPC solutions engineering group at Dell. Currently, he is leading hardware accelerator performance characterization efforts. He is also responsible for the HPC advisor, an online tool available at Dell.com/hpc. Customers can use the HPC advisor to design solutions according to their requirements. Previously, he led the Beowulf clustering software, Grid computing and virtualization solutions advisor projects. His interests include performance modeling and analysis of parallel and distributed architectures, power-efficient system design application accelerators, application specific architectures, signal and image processing, artificial intelligence, scheduling and load balancing algorithms. He holds a Ph.D. in parallel and distributed computing from the University of Texas at Austin.

Robert Kern
Robert Kern

Regional Sales Manager - South Central
Mellanox Technologies

Topic: "The Future of Interconnect"

Slides: available after the Symposium

Talk Abstract

Mellanox InfiniBand technology is the foundation for scalable and performance demanding computing infrastructures. Delivering more than 100Gb/s throughput, sub 700ns application to application latency and message rates of 137 million messages per second has already placed Connect-IB as the world leading interconnect solution. We will discuss the latest interconnect advancements that maximize application performance and scalability and focus on MPI 3.0 readiness with Core-Direct technology. We will cover best practices for increasing CPU efficiency by offloading CPU tasks to the network, discuss configurable hierarchical collectives (HCOL) and also cover the new transport service named Dynamically Connected Transport service (DCT). DCT uniqueness is with separating the interconnect resources from cluster size and ensuring the highest performance capabilities for unlimited application processes. We will review the superior capabilities of Mellanox interconnect solutions that are available today, as well as into future generations.

Biography

Robert Kern is a Regional Sales Manager at Mellanox Technologies. After graduating in 1978 with a Bachelor of Science degree in Mathematics, his professional career began with Datapoint Corporation in San Antonio. He moved to California in 1991 and spent several years in the integrated circuit photomask business. A career transition to SynOptics Communications in 1988 culminated in a promotion and move to Dallas in 1990. For the past 24 years, he has been with a handful of manufacturers and provided business solutions inclusive of switching/routing, firewalls, application delivery controllers, wireless arrays, and cloud optimization. He joined Mellanox in January 2013. In his spare time, he enjoys restoring, modifying, and subsequently pushing the performance limits on old Pontiacs.

Houssain Kettani
Houssain Kettani

Professor and Director
Computer Science and Information Systems Engineering
Fort Hays State University

Topic: "Information Systems Engineering at Fort Hays State University"

Slides:   PowerPoint   PDF

Talk Abstract

The speed of my new Dell XPS laptop is 9 GigaFLOPs (billions of floating point operations per second, such as multiplications). In other words and in theory, my laptop could perform 9,000,000,000 multiplications per second! New desktops would be three times faster. The fastest supercomputer is Tianhe-2 in China. It has over three million processor cores and consumes almost 18 MW (Mega or million Watts). It is like 180,000 light bulbs of 100W on at the same time. Tianhe's speed is 34 PetaFLOPs (quadrillions of floating point operations per second), which is almost 4,000,000 times faster than my new laptop. So, one second on Tianhe is equivalent to 4,000,000 sec or 1,100 hours or 46 days on my laptop. Also one hour on Tianhe is equivalent to 450 years on my laptop! These fast computers allow humans to solve problems that were impossible to solve a few years before, including weather (earth and space) forecasting, gene permutations, hurricane tracking, asteroid/comet tracking, spying, etc. However, such humongous machines present huge complexity in operation, maintenance, protection, etc. This remains an active area of research for continuous improvement in speed and efficiency, and provides an example of the need for information systems engineers.

Information is knowledge derived from data. The latter are recorded facts and figures that include collection, storage, management, retrieval, analysis, etc. Thus, Information Systems is the collection of hardware, software, data, people and procedures that work together to produce quality information. To this end, Information Systems Engineering is the effective use or "engineering" of Information Systems for a better understanding of data to optimize decision making. Therefore, ISE is an emerging engineering discipline consisting of a multidisciplinary area of studies that involves software, digital storage and retrieval, networks, human computer interaction, information security, digital design and electronic media. Students from the ISE Program are prepared to work with complex information systems and have the skills and knowledge necessary to advance steadily in their careers.

Biography

Dr. Houssain Kettani is professor and founding director of the Bachelor of Science in Information Systems Engineering Program at Fort Hays State University in Hays KS, which is one of two programs in the United States and one among a handful worldwide.

Evan Lemley
Evan Lemley

Professor
Department of Engineering & Physics
University of Central Oklahoma

Topic: "Enabling Computational Research and Education at the University of Central Oklahoma"

Slides:   PDF

Talk Abstract

Coming soon

Biography

Evan Lemley received his BA in Physics from Hendrix College and MS and Ph.D in Engineering (Mechanical) from the University of Arkansas. His thesis work was focused on modeling and simulation of various neutron detectors. Post graduation Evan worked for the engineering consulting firm Black & Veatch in a group responsible for modeling coal power plants with custom written software.

In August 1998, Evan became an Assistant Professor in the Department of Engineering and Physics (formerly Physics) at the University of Central Oklahoma, and has been there since, teaching mechanical engineering, physics, and engineering computation courses. Early research at UCO was focused on neutron transport in materials. More recently, Evan has been involved in simulation of flow in microtubes and microjunctions and simulation of flow in porous networks.

Greg Monaco
Greg Monaco

Director for Research & Cyberinfrastructure Initiatives
Great Plains Network

Topic: "Enhancing Networking Expertise Across the Great Plains"

Slides:   PowerPoint   PDF

Abstract

Major scientific breakthroughs are accomplished by teams of scientists working together, remotely, and accessing distributed datasets and advanced tools via the United States and global research networks. As new cyberinfrastructure technologies emerge to meet the growing needs of the science community, campus personnel at U.S. institutions must learn and adopt the new technologies for U.S. scientists to remain competitive. This need extends to smaller colleges and universities where cutting edge expertise may be less readily available.

For this project, the Great Plains Network is partnering with experts to improve knowledge, expertise and research cyberinfrastructure at campuses in Kansas, Missouri, Nebraska, Oklahoma and South Dakota. Partners are KanREN, MOREnet, OneNet, Reed Network, Network Nebraska, Internet2, ESnet, University of Chicago and University of Oklahoma.

Project objectives include benchmarking and periodically reassessing progress of campuses in the region toward implementing existing and emerging cyberinfrastructure technologies, developing and delivering an online curriculum to improve expertise, creating opportunities for campus participants to learn from leaders in advanced cyberinfrastructure and network technologies, providing outreach to campuses and building a community of support and encouragement for the implementation of new technologies.

The project measures progress by growth in the number of active campus participants across this project's lifespan, growth in the number of unique campuses participating in the project, participant mastery of advanced technology concepts covered in training, and an increase in number of campuses implementing these specific technologies.

This project promises to directly benefit scientists in the fields of physics, bioinformatics, climate modeling, and weather forecasting.

Biography

Dr. Greg Monaco has held several positions with the Great Plains Network since August 2000, when he joined GPN. He began as Research Collaboration Coordinator, and then was promoted to Director for Research and Education, followed by Executive Director for several years. He is currently the Director for Research and Cyberinfrastructure Initiatives.

Mike Morris
Karl Frinkle and Mike Morris

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

Topic: "Getting HPC into Regional University Curricula with Few Resources"

(with Karl Frinkle)

Slides:   PowerPoint   PDF

Abstract

We showcase our successful project of injecting high performance computing (HPC) into the traditional computer science curriculum at Southeastern Oklahoma State University. We incorporated a three-semester sequence of parallel programming courses, with the third course focusing on a research-level mathematical project that was executed on OU's supercomputer. Emphasis was placed on utilizing Open MPI and CUDA libraries along with parallel algorithm analysis and file I/O optimization. We recruited students with varied CS backgrounds for the program, some with only CS-1 in their portfolios. These courses are currently being followed with a more hardware-oriented course this fall, which will be profiled in the talk. We will discuss our approach to making this a successful sequence of courses and divulge many of the tips and tricks we have learned from our efforts.

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.

Don Schulte

Senior Account Manager
Cray Inc.

Topic: "Cray Solutions for Higher Education and Research"

Slides: available after the Symposium

Talk Abstract

Cray has always been known for its high-end, high-performance compute systems. It has a strong presence at the top national academic computation centers in the world. This talk will highlight some of the pioneering science done on these systems. The focus of the talk, however, will be on some of the less well known products that Cray brings to the academic research. This includes a standard cluster offering that combines high quality standard components with the software and services that Cray is known for; and a full range of storage products. The talk will cover Cray's end-to-end solutions that are optimized for both compute and data intensive workload.

Biography

Don Schulte is a 30 year veteran of the computing technology industry, primarily in the areas of enterprise Unix and research systems. After graduating with a Computer Science degree, for 18 years Don implemented large aerospace and defense systems in his field-based Systems Engineer role for computer hardware and software companies. Most recently, for last 12 years, Don has held business and sales positions for Dell, Cluster File Systems, Penguin Computing, DataDirect Networks and Cray Inc. Since 1999, Don has been involved in some of the largest High Performance Computing systems within the US research community.

Chris Stackpole
Chris Stackpole

Linux Cluster Administrator
Research Automation
Federal Reserve Bank of Kansas City

Topic: "My Journey to Shift the Mindset of Interactive Users to the Power of Batch Computing"

Slides:     PDF

Talk Abstract

Many of our users are very serial in their thought patterns and prefer to see their computations interactively. They don't quite understand how to take advantage of the parallel nature of a cluster and are hesitant to trust batch systems with their work. The journey that I and my coworkers are on is one to bridge those gaps. We seek to simplify their interaction with the cluster and to instruct them on how to think and compute in parallel.

Biography

Chris Stackpole has been working in the HPC field since 2003, when he first fell in love with Parallel Programming. He has worked in academia, industry, and government on clusters ranging from cluster of workstations, to clusters built out of spare parts, to purpose built clusters. He always enjoys a good conversation about what people are doing with their cluster.

Mickey Stewart

Senior Systems Engineer
Arista Networks

Topic: "The Value and Future of Ethernet in HPC"

Slides: available after the Symposium

Talk Abstract

In this session, we will discuss how Ethernet continues to be used as a high-speed interconnect for most of the commercial HPC clusters in use today, and why we shouldn't count it out when looking to build even the largest of cluster computers. The roadmap of Ethernet is promising. The arrival of PCIe 4.0 will enable 100 Gbps connections to the server. Ethernet will offer 25 Gbps and 50 Gbps connections based on 25 Gbps lanes. 100 Gbps Ethernet has been shipping in mass for over a year, significantly driving down cost, and there are plans for 400 Gbps Ethernet. Ethernet is leading the innovation for high-speed interconnect technology compared to other transport solutions. Innovations such as Remote Data Memory Access over Converged Ethernet (RoCE), iWARP, and support for kernel bypass drivers make Ethernet comparable, and there are many advantages that Ethernet offers over other high-speed interconnect technologies.

Biography

Mickey Stewart has more than 20 years experience in computing and network technologies. He works as a systems engineer for Arista Networks, specializing in Data Center and High Performance Computing architectures using the most modern and advanced network operating system, Arista EOS. Previously he spent time at Cisco Systems, Chesapeake, Paranet, Anixter, Compucom and Microsolutions. He has held various systems engineering, solutions architecture and business roles. Mickey has expertise in servers, routing and switching, unified communications, network and information security, storage and optical networking. Mickey holds/has held many industry certifications such as CCIE, CISSP, CCDP, CNE and CNX.

Bin Wang
Bin Wang

Assistant Professor
School of Chemical, Biological & Materials Engineering
University of Oklahoma

Topic: "Computational Simulations of Electronic and Optical Properties of Nanomaterials"

Slides:   PDF

Talk Abstract

Tunable electronic and optical properties of nanomaterials are desirable for their applications in electronic and optical devices, molecular sensors, and catalysis. In this talk, I will discuss two case studies of computational simulations of two-dimensional (2D) materials. In the first example, I will talk about defects and impurities and their effects on the transport properties of graphene. Second, I will focus on optical properties of 2D transition metal dichalcogenides. In particular, I will talk about the large exciton binding energy and tunable band structure and optical spectrum of MoS2 under tensile strain. Based on these two examples, I would like to demonstrate how atomic-level computational simulations can be helpful for tailoring the electronic and optical properties of nanomaterials.

Biography

Bin Wang is an assistant professor in the School of Chemical, Biological & Materials Engineering at the University of Oklahoma. He received his Ph.D. in Chemistry from the École Normale Supérieure de Lyon (France) in 2010, supported by a Marie Curie Fellowship. During his PhD, he visited the University of Munich (Germany) for almost one year. In 2009, he was awarded a Young Scientist Prize for the best student paper at the 10th International Conference on Atomically Controlled Surfaces, Interfaces and Nanostructures (Spain). Before coming to OU this fall, he was a postdoctoral research associate in the Department of Physics and Astronomy at Vanderbilt University. His research is focused on the computational simulations of materials and their applications in energy storage and conversion.


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