http://www.hpcc.ttu.edu/xml/HPCCNews.xmlTexas Tech's Grendel cluster has scored a place of 175 in the November 2009 Top 500 list, achieving 33.5 Teraflop/s max sustained and 40 Teraflop/s peak performance in LinPack tests. Details at http://www.top500.org/system/details/10303... http://www.hpcc.ttu.edu/php/HrothgarRetirement.php At 8am on June 9th, we will be retiring Hrothgar. Hrothgar was originally purchased in April of 2005, so most of the servers are 4 years old. This means that they have been out of warranty for over a year. We did upgrade 64 nodes in 2007, and these will be moved to the ESB and accessible by the new machine Grendel. These nodes will allow small jobs (less than 8-cores) to be run from Grendel in a Hrothgar queue using Grendel’s SGE scheduler All users who have active eRaider accounts on Hrothgar already have accounts on Grendel. For more information about Grendel, go to our website www.hpcc.ttu.edu. The storage system on Hrothgar will be moved to Grendel, but it will be accessible in a read-only configuration until July 10th. It may take a week to move the nodes, so the files stored on Hrothgar will be unavailable during that time. Because the size of the home directories are going from 350GB to 100GB, we are not moving any files from Hrothgar to Grendel. Grendel’s storage is configured differently from Hrothgar in that it has work and scratch directories in addition to a home directory for each user. If you need help in transitioning from Hrothgar to Grendel please contact us at hpcc@ttu.edu or 742-4350 . http://www.technologyreview.com/blog/arxiv/23465/ A neural net that diagnoses epilepsyhttp://www.technologyreview.com/blog/arxiv/23465/ Nobody has automated the process diagnosing epilepsy from ordinary EEG data, until now Wednesday, April 29, 2009 [http://www.technologyreview.com/blog/arxiv/files/26913/Epilespy.jpg] Around 50 million people suffer from epilepsy, about 1 per cent of the world's population, say Forrest Sheng Bao at Texas Tech University in Lubbock and a few pals. But diagnosing the condition is tricky. The gold standard is a recording of the electrical activity during a fit as measured by video and electroencephalogram (EEG) data. Of course, this kind of data is tremendously hard to get because of the disruption it causes to patients' loves. Imagine wearing the necessary electrodes and being within sight of a video camera continuously over a period of days or even weeks. In addition to this, some 70 or 80 per cent of sufferers live in the developing world where these kinds of measurements are even more impractical. Bao and colleagues have come up with a system that may have a dramatic impact. Various groups have attempted to automate the process of epilepsy diagnosis using pattern recognition programs to spot the characteristic signature of the condition in EEG data. But these all depend on the EEG-video data that is so hard to get. Bao and co have come up with a way to automatically diagnose epilepsy using data from recordings taken between fits, called interictal data. Obviously, this data is much easier to take. The team developed the system by training a neural network to recognise the characteristic patterns in interictal data that indicate the patient is epileptic. And they claim an accuracy rate of 94 per cent, about the same as experienced human operators, who usually have to strip various kinds of noise and artifacts out of the data before they can do their job. That looks like impressive work that could have a major impact on the way the disease is handled, particularly in the developing world. Ref: arxiv.org/abs/0904.3808 http://arxiv.org/abs/0904.3808 : Automated Epilepsy Diagnosis Using Interictal Scalp EEG http://www.hpcc.ttu.edu/php/update4.php Do you have the need to run jobs with a large memory footprint? We are currently installing an 8-core system with 64 GB of memory. This machine should be available by September, 2007 . If you would like to use this resource, please contact us so that we can give you access to the appropriate queue. http://www.hpcc.ttu.edu/php/July2007.php The National Science Foundation awarded two HPCC users their most prestigious award for young researchers. Texas Tech researcher Lenore Dai, Assistant Professor of Chemical Engineering, received the CAREER award for her proposal, CAREER: Heterogeneous and Competitive Self-assembly at Liquid- Liquid Interface Fellow HPCC user Jorge Morales, Assistant Professor of Chemistry, was also awarded the esteemed CAREER award by the NSF. Morales proposal, Building a Direct Dynamics with Coherent States involves inventing and developing new theories to computationally describe chemical reactions. HPCC would like to congratulate Lenore Dai and Jorge Morales. http://www.hpcc.ttu.edu/php/Aug-Sep2007.php Bill Hase, Department of Chemistry and Biochemistry, is PI and Yu Zhuang, Department of Computer Science, is co-PI of a $2,500,000 NSF Partnerships for International Research and Education (PIRE) grant awarded to Texas Tech University to fund a project entitled "Simulations of Electronic Non-Adiabatic Dynamics for Reactions with Organic Macromolecules, Liquids, and Surfaces. http://www.ima.umn.edu/2008-2009/W1.12-16.09/ Bill Hase is a co-organizer of a yearlong program at IMA.Each year the Institute for Mathematics and its Applications (IMA), at the University of Minnesota, has a thematic year funded by the National Science Foundation. The theme for 2008-2009 is Computational Chemistry, and Bill Hase, Department of Chemistry and Biochemistry, is one of the eight co-organizers of this year-long program; www.ima.umn.edu/2008-2009/. Several Workshops will be held during the year and, from January 12-16, 2009, Bill is leading the organization of a workshop entitled Chemical Dynamics: Challenges and Approaches; http://www.ima.umn.edu/2008-2009/W1.12-16.09/. http://www.hpcc.ttu.edu HPCC provides access to high performance computing resources for researchers at TTU. The local resources include two Linux clusters and a campus grid. In addition, the HPCC tools and services that allow access to external grid projects like TIGRE and OSG. Our newest computational resource, Antaeus, is a Dell Linux Cluster that consists of 48 nodes with 3.0GHz dual dual-cores with 2.3 Teraflops of peak performance. Antaeus was purchased as a joint effort between TTU IT Division, the TTU High Energy Physics (HEP) Group, and the Hase Research Group. Jobs can be submitted to this cluster using grid middleware. Another computational resource available through HPCC is Hrothgar. Recently upgraded, Hrothgar is a Dell cluster of 64 dual 3.2 GHz Xeons and 64 2.33 GHz dual quad-core Xeons. It has an Infiniband network to provide 10GigE bandwidth and low latency communications. Hrothgar has a total of 1 TB of memory. Hrothgar is one of the major high performance computing resources available for TTU students and faculty. This training session is aimed to give a jump start to new users about HPCC resources. Topics Covered (Brief Outline) 1. HPCC Resources 2. How to get access / connect 3. Job submission 4. Application Specific information a. Fluent b. ABAQUS c. FEAP http://www.isgtw.org/?pid=1001578 Researchers at Texas Tech University work more than 5,000 miles from CERN, but they will have just as much chance of making new physics discoveries using the data collected at the Large Hadron Collider as scientists in Switzerland. Texas Tech runs a Tier-3 computing center that is part of the CMS collaboration, allowing physicists there to host and analyze data from the experiment locally. Tier-3 centers make up one of four tiers in the LHC Computing Grid. ?Tier-3 sounds like the bottom of the chain,? said Alan Sill, a senior scientist who runs the center, ?but in a way it?s the top of the chain. It?s the first level at which physicists have access to data under their own control.? A single Tier-0 site, at CERN, processes raw information and sends it around the world to Tier-1 centers. CMS?s seven Tier-1 centers reprocess the data and break it into subsamples to send to about 35 CMS Tier-2 centers. Tier-2 centers host data for the experiment and devote much of their time to running centralized simulations, but also provide resources for individual physicists? analysis jobs. http://pubs.acs.org/cen/news/86/i02/8602notw1.html By precisely mapping what happens when individual molecules collide, researchers have uncovered unanticipated details about the mechanism of the bimolecular nucleophilic substitution (SN2) reaction, a fundamental molecular transformation in organic synthesis (Science 2008, 319, 183). In the classic SN2 mechanism, when a nucleophile such as a chloride anion attacks a compound such as methyl iodide, methyl iodide ejects the iodide "leaving group" and, like a cheap umbrella in high winds, undergoes an inversion of configuration to yield methyl chloride. Physicist Roland Wester and his team in Mattias Weidemus group at the University of Freiburg, in Germany, in collaboration with William L. Hase's group at Texas Tech University, now provide direct evidence foe this mechanism in the gas phase. But they also detect an additional, unexpected mechanism. In this new pathway, called the roundabout mechanism , chloride bumps into the methyl group and spins the entire methyl iodide molecule 360 before chloride substitution occurs. http://today.ttu.edu/2008/11/chancellors-council-announces-outstanding-teaching-research-awards/ Poirier joined Texas Tech in 2001. His research focuses on the emerging field of quantum mechanics applied to large systems. His work uses the correct laws of nature at the molecular scale in computer simulations. He has published extensively in top journals in his field. Poirier has twice received an Outstanding Faculty Award from Texas Tech?s graduating seniors, received the College of Arts and Sciences Tribute to Teachers Award and an Early Career Award from the U.S. Department of Energy. He earned his bachelor?s degree from Brown University and his doctorate from the University of California Berkeley.