Third Annual Texas A&M Research Computing Symposium
Last Updated: May 14, 2019
Symposium Details
Dates: May 13-17, 2019
Location: Interdisciplinary Life Sciences Building, Texas A&M Main Campus, College Station, TX
Contact us at (979) 458-8414 or help@hprc.tamu.edu
- Applications of High Performance Computing to solve real-world problems
- Exascale computing at the frontiers of science
- Cloud computing for scientific research
- Novel hardware and software for advanced computing
Keynote talks will be given by Irene Qualters, Associate Laboratory Director, Simulation & Computation, Los Alamos National Laboratory, and Dr. Erwin Gianchandani, NSF Deputy Assistant Director for Computer and Information Science and Engineering. In addition to local and national speakers, training workshops will be offered on computational tools for research. A reception and poster session is planned for late Wednesday afternoon.
In addition to talks by leading national and local computational scientists, some very exciting workshops on these and other topics are scheduled:
- Getting up to speed on the Google Cloud Platform
- Advanced use of the Abaqus Finite Element modeling and simulation package
- Classical and Quantum Mechanics modeling of chemical and biological systems
- Using the IBM PowerAI and PowerAI Vision packages for developing deep learning applications
- Long-Read Sequencing Technologies and Sequence Analysis
- Computing with the R statistics package; and Web access to HPRC supercomputers
A Reception and Poster/Demonstration Session are planned for late Wednesday afternoon. Please plan to attend!
Keynote Talks
Wednesday May 15, 2019, Interdisciplinary Life Sciences Building, Room 1105 -- 0930-1100
Computational Co-design: Exascale and Beyond
Irene Qualters, Associate Laboratory Director, Simulation & Computation, Los Alamos National LaboratoryAbstract:
Bio: Irene Qualters serves as the Associate Laboratory Director for Simulation and Computation. She previously served as a Senior Science Advisor in the Computing and Information Science and Engineering (CISE) Directorate of the National Science Foundation (NSF), where she contributes to strategic leadership in new directions for the CISE Directorate. In her nearly nine years at NSF, she has had responsibility for developing NSF’s vision and portfolio of investments in high performance computing, and has played a leadership role in interagency, industry, and academic engagements to advance computing. Irene also served on the Science and Technology Committee of the LLNS/LANS Board of Governors. Prior to her NSF career, Irene had a distinguished 30-year career in industry, with a number of executive leadership positions in research and development in the technology sector. During her 20 years at Cray Research, she was a pioneer in the development of high performance parallel processing technologies to accelerate scientific discovery. Subsequently as Vice President, she led Information Systems for Merck Research Labs, focusing on international cyberinfrastructure to advance all phases of pharmaceutical R&D. Irene has a M.S. in Computer Science from the University of Detroit and a B.S. from Duquesne University.
Wednesday May 15, 2019, Interdisciplinary Life Sciences Building, Room 1105 -- 1300-1400
Utilizing FPGAs for Advanced Computing
Jeff Nigh, Technical Solution Specialist Enterprise Acceleration, IntelAbstract:FPGAs are now more readily available as general purpose compute devices, enabled by new development and investment in FPGA acceleration. Researchers, software developers, and data scientists can leverage Programmable Accelerator Cards, qualified open-source driver stacks, and high-level programming languages to accelerate custom algorithms, database accesses, image inferencing, genomics, and more.
Bio: Jeff has been with Altera/Intel for 19 years holding both technical and technical sales role positions and prior to Altera Jeff was a design engineer at Rockwell Collins designing avionics for commercial aircraft focusing on embedded systems. He is also a college lecturer teaching Digital Logic Lab at the University of Wisconsin-Milwaukee and earned his Master’s degree in Electrical and Computer Engineering from the University of Iowa in 1993. In his free time he host the weekly www.stemonfire.com podcast and enjoys pretty much anything outdoors.
Thursday May 16, 2019, Interdisciplinary Life Sciences Building, Room 1105 -- 0930-1100
The Frontiers of Computer and Information Science and Engineering
Dr. Ken Calvert, National Science Foundation Division Director for Computer & Network Systems (CNS) in Computer and Information Science and EngineeringAbstract: NSF's Directorate for Computer and Information Science and Engineering (CISE) seeks to expand the frontiers of computing, communication, and information technologies; support advanced data and computing capabilities across all fields of science and engineering; and help prepare a workforce with the skills and competencies necessary for the 21st-century digital economy. This talk will present an overview of CISE and its programs and investments, along with a vision for evolving programs and priorities to support the frontiers of the field, and of science and engineering more broadly.
Bio:Ken Calvert is Division Director for Computer and Network Systems in the Computer and Information Science and Engineering (CISE) Directorate at the National Science Foundation. He is there on temporary assignment (since May 2016) from the University of Kentucky, where he is Gartner Group Professor in Network Engineering and former Chair of the Department of Computer Science. His research interests include future Internet architecture, software-defined networking, and network security. He received his Ph.D. in computer science from the University of Texas at Austin. He holds a M.S. in computer science from Stanford University and a B.S. in computer science and engineering from the Massachusetts Institute of Technology. Prior to his appointment at the University of Kentucky, he was a Member of the Technical Staff at Bell Laboratories in Holmdel, NJ, and served on the faculty in the College of Computing at the Georgia Institute of Technology. He is an IEEE Fellow and a member of the ACM.
Thursday May 16, 2019, Interdisciplinary Life Sciences Building, Room 1105 -- 1300-1400
Predictive Analytics using Amazon Web Services
Sanjay Padhi, Ph.D., AWS Research and Technical Computing; Physicist and Adjunct Professor of Brown UniversityAbstract: One of the most explored features of Big Data is predictive analytics. Predictive analytics is a set of techniques that are fundamental to large organizations like Amazon. Methods such as Machine Learning are used in many aspects of life, including health care, education, financial modeling, and marketing. Analytics on Big Data has given rise to various “smart” projects, such as Connected Intersections, Smart Cities, and Smart Health. This talk will provide a range of such studies using predictive analytics including detailed overview of methods such as Machine Learning (ML) and Deep Learning using AWS. Fully managed Artificial Intelligence (AI) services to help researchers build, train and deploy ML models in various domains including Computer Vision and Natural Language Processing (NLP) will also be outlined. Supervised and unsupervised based learning frameworks and its implications in the fields of Scientific Computing, Medical Imaging, Cancer detection, Diabetic Retinopathy, and Voice-enabled solutions to improve management of chronic disease will be discussed. Collaborations on research with funding agencies such as the NSF and NIH (including NIH STRIDES), as well as AWS Research Credit program will also be outlined.
Bio: Dr. Sanjay Padhi, leads the AWS Research Initiatives including AWS’s federal initiatives with the National Science Foundation. Dr. Padhi has more than 15 years of experience in large-scale distributed computing, Data Analytics and Machine Learning. He is the co-creator of the Workload Management System currently used for all the data processing and simulations by CMS, one of the largest experiments in the world at CERN, consisting of more than 180 institutions across 40 countries. He also co-founded the ZEUS Computing Grid project at Deutsches Elektronen-Synchrotron (DESY), Germany before joining CERN. Sanjay obtained his Ph.D from McGill University in High Energy Physics and is also currently appointed by the Dean of Faculty as an Adjunct Professor of Physics at Brown University.
Tutorials and Workshops
>>>> Register for workshops here <<<<
Monday, May 13
- Introduction to HPC Using the Open OnDemand web portal (0900-1200)
- Quantum Mechanics - Brief introduction to quantum mechanics with a focus on DFT molecular calculations (1300-1700)
There will be hands-on exercises for the ORCA and Gaussian software packages.
Instructor: Lisa M. Pérez, Ph.D., Manager, Laboratory for Molecular Simulation
Tuesday, May 14
- Using the R Statistics Package on the HPRC supercomputers (1000-1200)
- IBM Power AI and Power AI Vision Software and Hardware (1300-1700)
- Abaqus Workshop: Modeling Contact and Convergence Issues with Abaqus/Standard, with workshop on 3D contact simulation (1300-1600)
- Long-Read Sequencing Technologies and Sequence Analysis (1300-1500)
Friday, May 17 Workshops
- Google Cloud Fundamentals: Core Infrastructure (0900-1700)
This one-day instructor-led class provides an overview of Google Cloud Platform products and services.
Syllabus at https://cloud.google.com/training/courses/core-fundamentals
- Classical Simulations - Brief introduction to classical simulations with a focus on protein dynamics and ligand docking. (1300-1700)
There will be hands-on exercises for the AutoDock VINA, Glide, and Desmond software packages.
Instructor: Lisa M. Pérez, Ph.D., Manager, Laboratory for Molecular Simulation
Schedule
Last update: May 14, 2019
Monday, May 13 | Workshops and Tutorials |
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0900 - 1200 | Introduction to HPC Using the Open OnDemand web portal Instructor: Ping Luo, High Performance Research Computing Register for all workshops here |
1200-1300 | Lunch Sponsored by Google |
1300 - 1700 | Quantum Mechanics - Brief introduction to quantum mechanics with a focus on DFT molecular calculations. Instructor: Lisa M. Pérez, Ph.D., Manager, Laboratory for Molecular Simulation Register for all workshops here |
Tuesday, May 14 | Workshops and Tutorials |
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1000 - 1200 | Using the R Statistics Package on the HPRC supercomputers Instructor: Dr. Noushin Ghaffari, Agrilife Research Register for all workshops here |
1200-1300 | Lunch Provided by Hewlett Packard Enterprise and Intel |
1300 - 1700 | IBM Power AI and Power AI Vision Software and Hardware
Instructor: John Pace, Ph.D., Mark III Systems Register for all workshops here |
1300 - 1600 | Abaqus Workshop: Modeling Contact and Convergence Issues with Abaqus/Standard, with workshop on 3D contact simulation Instructor: Yuan Di, 3DS.COM/Simulia Register for all workshops here |
1300 - 1500 | Long-Read Sequencing Technologies and Sequence Analysis Instructor: Yanni Lun and Joshua Hill, AgriLife Research, and Michael Dickens, High Performance Research Computing Register for all workshops here |
Wednesday, May 15 | Keynote and Research Talks |
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0930 - 1000 | Opening remarks, Day 1 - Costas Georghiades, Senior Associate Vice President for Research, Texas A&M University Division of Research |
1000 - 1100 | Keynote: "Computational Co-design: Exascale and Beyond" Irene Qualters Associate Laboratory Director, Simulation & Computation, Los Alamos National Laboratory |
1100 - 1115 | Break sponsored by VMWare |
1115 - 1200 | "Using Google Cloud Platform for Scientific Computing" Ward Harold, Google Solutions Architect, Scientific and Technical Computing |
1200 - 1300 | Lunch Provided by Hewlett Packard Enterprise and Intel Special Lunch Talk: "HPC/AI Convergence/Workload Matters/Tensor Cores and AMP" Mark Hill, Solutions Architect, NVIDIA |
1300 - 1400 | Industry Keynote: "Using FPGAs to Accelerate Science" Jeff Nigh, Technical Solution Specialist Enterprise Acceleration, Intel Corporation |
1400 - 1500 | Afternoon Session 1
|
1500 - 1520 | Break Sponsored by Dell and NVIDIA |
1520 - 1700 | Afternoon Session 2
|
1600 - 1700 | Set up for poster session and demonstrations (in parallel with talks above) |
1700 - 1900 | Reception in the ILSB Foyer Sponsored by Dell and NVIDIA Research Poster Session and Demonstrations in the ILSB Foyer Sponsored by Google |
Thursday, May 16 | Keynote and Research Talks |
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0930 - 1000 | Opening remarks, Day 2 - Honggao Liu, Director, High Performance Research Computing |
1000 - 1100 | Keynote: "The Frontiers of Computer and Information Science and Engineering" Dr. Ken Calvert, National Science Foundation Division Director for Computer & Network Systems (CNS) in Computer and Information Science and Engineering |
1100 - 1115 | Break Sponsored by Amazon Web Services |
1115 - 1200 | Networking and discussion session |
1200 - 1300 | Lunch Provided by Hewlett Packard Enterprise and Intel |
1300 - 1400 | Industry Keynote: "Predictive Analytics using Amazon Web Services" Sanjay Padhi, Ph.D., AWS Research and Technical Computing; Physicist and Adjunct Professor of Brown University |
1400 - 1500 | Afternoon Session 1
|
1500 - 1520 | Break Sponsored by Lenovo |
1520 - 1700 | Afternoon Session 2
|
1700 | Closing Remarks |
Friday, May 17 | Workshops and Tutorials | |
---|---|---|
0900 - 1200 | Google Cloud Fundamentals: Core Infrastructure (morning session) This one-day instructor-led class provides an overview of Google Cloud Platform products and services. Syllabus at https://cloud.google.com/training/courses/core-fundamentals Register for all workshops here |
|
1200 - 1300 | Lunch sponsored by Dell and NVIDIA | |
1300 - 1700 | Google Cloud Fundamentals: Core Infrastructure (afternoon session) | |
1300 - 1700 | Classical Simulations - Brief introduction to classical simulations with a focus on protein dynamics and ligand docking. There will be hands-on exercises for the AutoDock VINA, Glide, and Desmond software
packages. Instructor: Lisa M. Pérez, Ph.D., Manager, Laboratory for Molecular Simulation Register for all workshops here |