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CRC News Briefs:

The Great Lakes Consortium for Petascale Computing (GLCPC) has accepted the membership of the University of Notre Dame. The GLCPC facilitates the widespread and effective use of petascale computing to address frontier research questions in science, technology, engineering, and mathematics at research, educational, and industrial organizations across the United States.

Notre Dame group leads $1.8 million science data preservation effort. Mike Hildreth, Professor of Physics, Jarek Nabrzyski, Director of the Center for Research Computing and Concurrent Associate Professor of Computer Science and Engineering, and Douglas Thain, Associate Professor of Computer Science and Engineering, are the lead investigators on a project that will explore solutions to the problems of preserving data, analysis software, and how these relate to results obtained from the analysis of large datasets. Known as Data and Software Preservation for Open Science (DASPOS), it is focused on High Energy Physics data from the Large Hadron Collider (LHC) and the Fermilab Tevatron.

Congratulations on the received funding awarded for large memory cluster for Computational Sciences.Principal Investigator Dr. Jarek Nabrzyski, Director, Center for Research Computing, along with co-PIs, Dr. Nitesh Chawla, Co- Director at iCeNSA and Associate Professor of Computer Science and Engineering; Dr. David Hachen. Co-Director at iCeNSA and Associate Professor of Sociology;Dr. Gitta Lubke, Associate Professor, Psychology; and Dr. Nelson Mark, Director of Graduate Studies and Professor of International Economics, and Paul Brenner, CRC Associate Director for HPC, were notified on September 25th they have been awarded a $450,000 NSF grant for their Major Research Instrumentation proposal. These funds will be used to deploy a large memory cluster for computational social sciences. The new cluster will have at least 2,600 CPU cores, 5,300GB of RAM, and 60TB of high performance storage in two racks of data analytics servers connected with a state of the art Infiniband network fabric. We expect the new cluster to be deployed in the early spring.

Congratulations to Professor Izaguirre who receives R01 funding from NIH for GPU-enabled protein folding simulations. The project is focused on novel algorithms that dramatically accelerate the simulation of protein folding. It involves a collaboration with Dr. Chris Sweet at the Center for Research Computing at Notre Dame, Prof. Vijay Pande at Stanford, and Prof. Martin Gruebele at the University of Illinois at Urbana Champaign.These developments will be used to investigate the effect of mutations on misfolding, a critical aspect of many neurodegenerative diseases.

Congratulations to Maciej Malawski, postdoctoral scholar at the CRC, and his fellow Distributed Computing Environments (DICE) team members for winning First Prize top honors in the Elsevier Executable Paper Grand Challenge!

CRC users, be sure to check out the new module groupings for CRC software that will take effect after the upcoming maintenance period (May 21-22). Contact CRCsupport with any questions.

Announcing BETA release of private cloud computing system accessible to ND students, faculty and staff through web interface. Details in March newsletter. Questions? Contact cloud maintainer.

Support for mpich1 and mvapich1 MPI libraries to be removed in favor or mpich2 and mvapich2. For more information or assistance migrating applications, contact CRCsupport.

CRC and Notre Dame Data Management Working Group support researchers in meeting new data management plan requirements for NIH and NSF grant proposals.

Team of investigators from iCeNSA, CRC, Computer Science and Engineering, and Chemistry and Biochemistry publish novel network analysis of protein dynamics.

GPUThe ND GPU Group recently formed for all those interested in taking advantage of GPU technology. Contact Charles Vardeman for more information.

The new CRC Newsletter will serve as a monthly bulletin to keep users informed of ongoing activities and events throughout the year.

Many congratulations to John Clay (College of Engineering) winner of the Apple iPad, drawn at random from entries to the CRC User Survey 2010!