GPUs Help Researchers Uncover New Approach to Combating HIV Virus

 

Today Nvidia announced that researchers using Tesla GPUs have achieved a major breakthrough in the battle to fight the spread of the HIV virus.

Featured on the cover of the latest issue of Nature, a new paper details how researchers from the University of Illinois at Urbana-Champaign and the University of Pittsburgh School of Medical Sciences have, for the first time, determined the precise chemical structure of the HIV “capsid,” a protein shell that protects the virus’s genetic material and is a key to its virulence. Understanding this structure may hold the key to the development of new and more effective antiretroviral drugs to combat a virus that has killed an estimated 25 million people and infected 34 million more.

UIUC researchers uncovered detail about the capsid structure by running the first all-atom simulation of HIV on the Blue Waters supercomputer. Powered by 3,000 NVIDIA Tesla K20X GPU accelerators – the highest performance, most efficient accelerators ever built – the Cray XK7 supercomputer gave researchers the computational performance to run the largest simulation ever published, involving 64 million atoms.

It would have been very difficult to run a simulation of this size without the power of GPU- accelerated supercomputing in the Blue Waters system,” said Klaus Schulten, professor of physics at the University of Illinois. “We started using GPU accelerators more than five years ago, and GPUs have fundamentally accelerated the pace of our research.”

While no existing HIV drug treatments are designed to target the capsid, by providing a better understanding of the structure of the HIV capsid, pharmacologists now have a wealth of new information to develop new and potentially more effective antiviral HIV drugs.

Read the Full Story.

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Japan’s National Astronomical Observatory Deploys 500 Teraflop Cray XC30

 

Today Cray announced that the National Astronomical Observatory of Japan (NAOJ) has put one of the world’s fastest supercomputers solely dedicated to astronomy into production. The new Cray XC30 supercomputer runs complex simulations — experiments that they hope will one day answer longstanding questions, such as the formation of galaxies and the origin of the solar system.

A reliable, powerful supercomputer is a vital resource for our researchers and engineers, and we are pleased that the Cray XC30 supercomputer is giving our users the computational tools they need for the effective reproduction and study of astronomical phenomena,” said Eiichiro Kokubo, director of NAOJ’s Center for Computational Astrophysics (CfCA). “Performing astronomical experiments in a laboratory setting is difficult, but our new Cray XC30 supercomputer is allowing us to perform the advanced numerical simulations that are crucial to our research.”

Nicknamed “ATERUI,” the eight-cabinet Cray XC30 supercomputer has a peak performance of more than 500 teraflops and is located at NAOJ’s Mizusawa VLBI Observatory in Iwate, Japan. Read the Full Story.

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Penguin Computing Rolls Out P3 Partner Program

 

Today Penguin Computing announced its new Partner Program P3 with two types of partners, VAR/Resellers and Alliance/Technology. According to the company, the P3 program puts the customer first and central, ensuring that all customers receive the same level of support and equal access to resources.

Typically the business model of established tier one vendors results in an inherent conflict between direct and partner sales,” said David Ingersoll, VP Sales Penguin Computing. “At Penguin, we regard our partners as an extension of our organization and our main focus is to grow our and our Partners’ business by creating a win-win relationship.” The P3 program enables partners to offer the complete line of Penguin solutions in the areas of high performance, cloud computing, Big Data and virtualization. Through these solutions Penguin partners will be able to leverage Penguin’s expertise and name recognition helping them to increase top line revenue as well as their bottom-line profitability. Through P3, Partners can also provide customer access to Penguin’s public cloud Penguin Computing on Demand (POD).”

Read the Full Story.

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Bright Computing Bundles Rogue Wave’s TotalView at No Additional Cost

 

Today Rogue Wave Software announced that Bright Computing will bundle the company’s TotalView advanced debugger with its Bright Cluster Manager. In what is described as a move to help increase productivity and shorten development lifecycles, Bright Computing’s new and existing customers will now have free access to a scalable, multi-core debugger, with both reverse and memory debugging functions.

Rogue Wave is pioneering the concept of pairing a commercial debugger with a leading cluster management solution,” stated Scott Lasica, Vice President of Product Management & Marketing at Rogue Wave. “Through this strategic agreement, both Bright Computing and Rogue Wave are strengthening their abilities to effectively serve organizations around the world. Most importantly, Bright Computing’s customers will now have a world-class debugger included with their cluster management solution.”

Current Bright Computing customers are encouraged to register to receive Totalview. Read the Full Story.

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Podcast: Radio Free HPC Looks at Holographic Storage

 

In this podcast, the Radio Free HPC team takes a look at pending holographic storage technology.

Henry Newman’s head is still spinning from the technology previews he saw at the recent IEEE Mass Data Storage Conference. Could this be a game-changer for the tape industry and archiving data? What are the specs, limitations, and most importantly, are these the droids we’ve been looking for?

View the Hitachi Slides * View the Akonia Holographics SlidesDownload the MP3Download the mobile videoDownload 1024p VideoSubscribe on iTunesRSS Feed

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Understanding the Human Condition with Big Data and HPC

 

In this guest feature from Scientific Computing World, Georgia Institute of Technology’s David A. Bader discusses his upcoming ISC’13 session, Better Understanding Brains, Genomes & Life Using HPC Systems.

Supercomputing at ISC has traditionally focused on problems in areas such as the simulation space for physical phenomena. Manufacturing, weather simulations and molecular dynamics have all been popular topics, but an emerging trend is the examination of how we use high-end computing to solve some of the most important problems that affect the human condition.

Prompted by Hans Meuer, general chairman of ISC, we decided to put together a session that asks how supercomputing is enabling the study of life, and by this we mean answering questions such as how life evolves, how we go from genotype to phenotype, and how our brains function. At the moment, brain function, for example, remains a mystery but I do believe that we will begin to make progress in the next 10 to 20 years. It truly is an exciting time for life sciences research, and we have brought together three speakers that will explore three different axes of computational biology and genomics.

The first speaker, Dr BingQiang Wang, is head of High Performance Computing, BGI Research at the Beijing Genome Institute, and he will begin the session by talking about bioinformatics and how we take the massive scale sequencing of genomes and use that intensive architecture to do the problems related to aligning sequences at extreme scale. In addition, it will focus on giving tools to the analysts and accelerate computations using GPUs. Essentially, his is a Big Data talk on the first aspect of biology, the study of sequences.

Our second speaker, Dr Rossen Apostolov, comes from the KTH Royal Institute of Technology, Sweden, and is technical director of the EU-funded project ScalaLife. We thought that ScalaLife was a very interesting project to preview at ISC because it’s taking a lot of simulation aspects in life sciences and then bringing HPC to bear in tackling these problems. The project brings together multi-physics simulations between molecular dynamics, quantum mechanics, and discrete optimisation, and then uses these different computational disciplines to solve the simulation of life itself. This will be a fascinating talk because it’s going to connect these unique types of simulation into a unified framework, again supported by the EU, for the simulation of living organisms – an impossible task without the use of supercomputing resources.

The third presentation will be given by Prof. Dr Markus Diesmann, director of the Institute of Neuroscience and Medicine, Computational and Systems Neuroscience (INM-6) and the Institute for Advanced Simulation, Theoretical Neuroscience (IAS-6) at the Jülich Research Centre, and Professor for Computational Neuroscience at the Medical Faculty of RWTH Aachen University. His talk will focus on some of the most challenging simulations of the collection of neurons that make up the brain, and will fit in with the need for massive supercomputers that can do these full-scale simulations. Diesmann leads a European effort to develop the algorithms, the simulation technology, the validation for both the brain imaging and scanning, along with the computational methods to aid our understanding of how the brain works. This is so critical because if we knew how the brain functioned we’d be able to better help the population in dealing with some of issues that affect it.

By the end of the session we hope to have informed the international supercomputing community that biology and molecular science are hot topics for applications. The most important point is that it will be a two-way conversation, bringing these communities together and giving system designers and vendors a better idea of how to make supercomputing systems that will be more efficient for tackling these types of challenges.

The hallmark of all the problems we will be exploring is that their efficient solutions require high-end computing systems and Big Data platforms. We really need to bring together supercomputers and Big Data storage systems to tackle what I feel is the holy grail of computing: the understanding of life.

Better Understanding Brains, Genomes & Life Using HPC Systems
Wednesday, 19 June 2013
9am – 10.30am
Hall 2, CCL – Congress Center Leipzig

This story appears here as part of a cross-publishing agreement with Scientific Computing World.

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Video: India’s Supercomputing Vision – Key Technical Challenges

 

In this video, Dr. GV Ramaraju presents: India’s Supercomputing Vision – Key Technical Challenges. Ramaraju describes what is expected from research and academic institutes and vendors to provide the direction and thrust to build the necessary computing systems ecosystem.

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U.S. Sending Two Veteran Teams to ISC’13 Klusterkampf

 

Over at the Student Cluster Competition Blog, Dan Olds writes that the U.S. is pinning its hopes on the Buffaloes and Boilermakers to win the day at the ISC’13 Klusterkampf. Olds believes that this will be the fiercest yet, with nine university teams from five continents are building, testing, and optimizing their own multi-node HPC clusters.

Representing the United States are the two most experienced student clustering teams in the league, Purdue and the University of Colorado Boulder. These teams were among the participants in the very first student cluster competition way back in 2007 at the Supercomputing Conference (SC) in Reno. Since then, one or both teams have competed in every single cluster competition possible – which is quite a feat.

During the show, the students will be running HPCC (with a separate LINPACK), GROMACS, MILC, WRF, and two secret applications. The goal is to run the apps faster than the other teams without going over the 3KW power limit. Read the Full Story.

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Video: Science as Voyage – Ian Foster at TEDxCERN

 

In this video from the TEDxCERN event, Ian Foster takes us on a journey of Big Process for Big Data, with a call to action for the kind of collaborative processes we need.

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Job of the Week: HPC Systems Administrator at Weill Cornell Medical College

 

Weill Cornell Medical College is seeking an HPC Systems Administrator in our Job of the Week.

Under direction, the Systems Administrator will apply technical expertise and background to work within a team of systems administrators, genomics scientists and software engineers to consult for and support scientific researchers served by the Applied Bioinformatics Core (ABC) at the Weill Cornell Medical College. Primary responsibilities will include system administration, software maintenance, system monitoring and troubleshooting for advanced systems and related infrastructure.

Are you paying too much for your job ads? Not only do we offer ads for a fraction of what the other guys charge, our insideHPC Job Board is powered by SimplyHIred, the world’s largest job search engine.

As a reminder, we are offering FREE job listings for .EDU and .GOV domains, so email us at: info @ insideHPC.com for a special discount code.

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Video: HPC Drives Life Science Research at TACC

 

In this video, from Joe Maglitta from Go Parallel sits down with Oscar Jiao from TACC. Jiao is the center’s life science computing specialist, and he describes how researchers are using the nine-petaflop Stampede supercomputer to pursue new discoveries in their fields.

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Rick Stevens Makes the Case for Exascale

 

Over at the ScaleOut Blog, Rob Mitchum writes that Argonne’s Rick Stevens made a great case for Exascale at the recent hearing on Capital Hill.

We have identified five major hurdles that must be overcome if we are to achieve our goal of pushing the computing performance frontier to the Exascale by the end of the decade:

  • We must reduce system power consumption by at least a factor of 50.
  • We must improve memory performance and lower cost by a factor of 100.
  • We must improve our ability to program systems with dramatically increased levels of parallelism.
  • We must increase the parallelism of our applications software, math librareis and operating systems by at least a factor of 1,000.
  • We must improve systems reliability by at least a factor of 10.

These are not simple tasks. But all of us who are working in this community believe that Exascale supercomputing will be a reality by the end of this decade. It will happen first in the U.S. if we can get the investment needed. This bill is a great start to that commitment. Ultimately, this is a race, not against our international competitors, but rather it’s a race for us. Exascale computing is necessary to the achievement of our most urgent goals in energy, in medicine, in science and in the environment. And it will have a profound impact on industry competitiveness and national security. I believe we have a duty to move as swiftly as we can.

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Whitepaper: Creating a Raspberry Pi-Based Beowulf Cluster

 

The Raspberry Pi is a credit-card-sized single-board computer developed in the UK by the Raspberry Pi Foundation with the intention of promoting the teaching of basic computer science in schools. But could this ARM-based device be used to teach supercomputing as well? Joshua Kiepert, a doctoral student at Boise State’s Electrical and Computer Engineering department, published a white paper entitled: Creating a Raspberry Pi-Based Beowulf Cluster.

Although an inexpensive bill of materials looks great on paper, cheaper parts come with their own set ofdownsides. Perhaps the biggest downside is that an RPi is no where near as powerful as a current x86 PC. The RPi has a single-core ARM1176 (ARMv6) processor, running at 700MHz (though overclockingis supported). Additionally, since the RPi uses an ARM processor, it has a different architecture than PCs, i.e. ARM vs x86. Thus, any MPI program created originally on x86 must be recompiled when deployed to the RPiCluster. Fortunately, this issue is not present for java, python, or perl programs. Finally, because of the limited processing capability, the RPiCluster will not support multiple users simultaneously using the system very well. As such, it would be necessary to create some kind of timesharing system for access if it ever needed to be used in such a capacity.

Download the paper (PDF).

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Podcast: Pete Beckman on the Rise of the Super Smart Supercomputer

 

In this podcast from WBEZ in Chicago, Pete Beckman from Argonne explains how math and supercomputers are accelerating scientific discovery and helping us predict the future. From discovering the secret inner workings of the universe to developing cars that can drive themselves, technology and science are fueling a new breed of massive, smart supercomputers that will improve our world.

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Slidecast: Univa Partners with Europe’s science + computing to Bolster Digital Manufacturing

 

In this slidecast, Gary Tyreman from Univa describes the company’s new partnership with Europe’s science + computing.

Our customers operate technical computing environments where infrastructure software like Univa Grid Engine is a key component. This partnership allows us to support our customers on all levels, giving them more options to use their compute clusters in the most efficient manner,” says Gerd-Lothar Leonhart, CEO of s+c. “Additionally, the possibility to integrate Univa Grid Engine with Hadoop systems opens up new opportunities to optimize the usage of Big Data installations.”

Read the Full Story * View the slidesDownload the MP3Subscribe on iTunesSubscribe to RSS

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