Scientific Discovery through Advanced Computing Program (SciDAC) tutorials on Friday, July 18th ★★★★★★★★★★★★★★★ Dan_eScienceJuly 11, 20081 0 0 0 Microsoft Research is hosting the DOE 2008 Scientific Discovery through Advanced Computing Program (SciDAC) tutorials on Friday, July 18th. If interested in attending, please register at the SciDAC Tutorials Registration. SciDAC Tutorial Agenda July 18 – Microsoft Research, Bldg 99. 9:00 – 9:30 Reception, checkin and orientation 9:30 – 12:00 First session Visualization and Data Analysis with VisTrails Introduction to Scientific Workflow Management and the Kepler System Porting and Scaling Applications on BlueGene/P Advanced CompuTational Software (ACTS) Collection Tutorial 12:00 – 1:00 Lunch in bldg. 99 Atrium (attendees in bldg. 117 walk to bldg. 99 next door) 1:00 – 3:30 Second session Advanced Visualization and Data Analysis with the VisIt Visualization System ADIOS The ADaptible IO System An Introduction to the Cray XT4 for Application Scientists Advanced CompuTational Software (ACTS) Collection Tutorial Tutorial Abstracts Title: <></> Introduction to Scientific Workflow Management and the Kepler System <></> Contact: Ilkay Altintas Partners: The Scientific Data Management Center (SDM) Presenters: Ilkay Altintas, Scott Klasky, Norbert Podhorszki, Mladen Vouk A scientific workflow combines data and processes into a configurable, structured set of steps that implement semi- automated computational solutions of a scientific problem. Scientific workflow systems provide a framework and often graphical user interfaces to combine different technologies along with efficient methods for using them. This reduces overhead and increases the efficiency of the scientists towards a scientific discovery. SciDAC SDM Center’s Scientific Process Automation group develops scientific workflow tools (called Kepler) for automation of scientific data management processes in a reusable, robust, tractable, and recoverable fashion to enhance scientific exploration. This tutorial provides an introduction to scientific workflow construction and management using the Kepler system. It is intended for the SciDAC scientists and students with a computational science background. It will cover principles and foundations of scientific workflows, Kepler environment installation, workflow construction out of the available Kepler library components, and workflow execution management that uses Kepler-based facilities to provide process and data monitoring, provenance information, portal access, and high speed data movement solutions. This tutorial includes hands-on sessions and application examples from different scientific disciplines. Title: <></> ADIOS: The ADaptible IO System <></> Contact: Chen Jin Partners: The Scientific Data Management Center (SDM) and The Center for Plasma Edge Simulation and Oak Ridge National Lab Presenters: Chen Jin, Scott Klasky, Steve Hodson: ORNL, Hasan Abbasi, Jay Lofstead, and Matthew Wolf: Georgia Tech, and Manish Parashar Rutgers The ADaptible IO System (Adios) is a componentization of the IO layer for high performance scientific computations. Currently, we have integrated ADIOS into Fusion, Combustion and other pioneering scientific applications and achieved excellent performance results. ADIOS provides a simple to use, common programming interface for different transport layer methods. The design goals are set to allow the application scientist to program a very easy to use IO system, which can choose between different IO implementations at runtime. This allows IO experts to tune their implementations on different systems without changing the IO implementation. We currently support MPI-IO, collective MPI-IO, POSIX, asynchronous MPI-IO, the Georgia Tech DataTap system based on RDMA, and the Rutgers DART implementation also based on RDMA. ADIOS separates out the metadata and methods, by using an external XML file. This allows users to add annotations outside of their F90/C/C++ codes and to change the implementation outside of their code. ADIOS 1.0 will be released before 12/1/2008 and will provide very fast writes of data. In this tutorial, we will first present an introduction of ADIOS, along with the current supported methods, and file converters. We will then provide a hands-on session which will allow users to work with both a F90 and C code, and change the IO to ADIOS, and change this to use both MPI-IO and Posix IO. We will then show them how to read in the data, and convert the output to HDF5, NetCDF, and ASCII. Title: <></> Porting and Scaling Applications on ALCF’s BlueGene/P <></> Contact: Kalyan Kumaran, Argonne Leadership Computing Facility Partners: The Argonne Leadership Computing Facility Presenters: Vitali Morozov and Ray Loy The Argonne Leadership Computing Facility houses a half a petaflop BlueGene/P supercomputer. A number of petascale applications, from a variety of engineering domains, are run every day on this highly scalable architecture via the Department of Energy’s INCITE (Innovative and Novel Computational Impact on Theory and Experiment) program. Nevertheless, porting and scaling applications onto petascale computers remains a challenging task. This tutorial will focus on the BlueGene/P architecture and present an overview of compilers, libraries, performance tools, debuggers available for porting and scaling applications. Title: <></> Advanced Visualization and Data Analysis with the VisIt Visualization System <></> Contact: Hank Childs Partners: The Visualization and Analytics Center for Enabling Technology (VACET) Presenters: Hank Childs and Sean Ahern Understanding scientific datasets generated at DOE’s high-performance computing facilities is becoming increasingly difficult as dataset sizes and complexity grow beyond the scale that is approachable by traditional analysis techniques. VACET is delivering scalable solutions to real-world visualization and analysis problems through the VisIt visualization system. VisIt is a turnkey application for data exploration, visualization, code assessment, and quantitative analysis suitable for use on SciDAC datasets of any size. This tutorial is targeted at all levels of users, from first timers on up to VisIt experts. The tutorial will present the basics of using VisIt on up to advanced visualization techniques. Title: <></> Visualization and Data Analysis with VisTrails <></> Contact: Claudio Silva Partners: The Visualization and Analytics Center for Enabling Technology (VACET) Presenters: Claudio Silva and Carlos Scheidegger The demand for the construction of complex visualizations is growing in many disciplines of science, as scientists are faced with ever increasing volumes of data to analyze. We give an overview of VisTrails, an open-source provenance management system that provides infrastructure for data exploration and visualization. VisTrails transparently records detailed provenance (history) information for exploratory computational tasks, both for the derived data products and for the pipelines used to derive them. Besides enabling the reproducibility of results, this provenance information can be used to simplify the process of data exploration through visualization. We will present several mechanisms and intuitive interfaces provided by VisTrails that allow flexible re-use of pipelines; exploration of large parameter spaces; comparison of visualizations and their respective pipelines; and the creation and refinement of visualizations by analogy. This tutorial is targeted to users with different levels of expertise, from novice to expert. We will cover a number of specific examples that reflect typical visualization needs of DOE applications. Title: <></> An Introduction to the Cray XT4 for Application Scientists <></> Contact: Richard Gerber Partners: NERSC and ORNL Presenters: Richard Gerber and Rebecca Hartman-Baker This tutorial provides the basics to get up and running on the Cray XT4. Topics covered include compilers, libraries, and job management with a focus on parallel scaling and performance optimization of real world applications. The presenters are HPC consultant staff with hands on experience with the XT4 systems at ORNL and NERSC. This tutorial is targeted at researchers transitioning to the XT4 from serial or other parallel computing environments. Title: <></> Advanced CompuTational Software (ACTS) Collection Tutorial <></> Contact: Tony Drummond Partners: ACTS and TAU Presenters: Tony Drummond This short course will be an introduction to a set of advanced computational software tools to leverage the development of high performance applications. The lectures will focus on the selection, installation and use of scalable and robust software tools. Functionalities implemented in these software tools include; numerical algorithms for the solution of large computational problems, performance monitoring and profiling, and automatic tuning. Participants should expect to learn about techniques used to solve common computational problems and monitor their performance. Participants are encouraged to bring laptop computers and follow live demonstrations through hand-on experiences. The software presented here is freely available and widely used by the computational sciences international community.