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GPU Accelerated Quantum Chemistry: A New Method

sara

“The ability to accurately and efficiently study the absorption spectra of large chemical systems necessitates the development of new algorithms and the use of different architectures. We have developed a highly parallelizable algorithm in order to study excited state properties with ab initio electronic structure theory. This approach has recently been implemented to take advantage of graphical processing units to further improve efficiency.”

ISC 2015 Recognizes Research in Energy-Efficient Supercomputing

ISC-Event

Today the ISC 2015 conference announced the winners of its annual awards, recognizing excellence in the development of energy-efficient supercomputers.

Video: Algorithmic Adaptations to Extreme Scale

David Keyes, KAUST

“Algorithmic adaptations are required to use anticipated exascale hardware near its potential, since the code base has been engineered to squeeze out flops. Instead, algorithms must now squeeze out synchronizations, memory, and transfers, while extra flops on locally cacheable data represent small costs in time and energy.”

Video: From Megaflop to Petaflop and Beyond

Arden L. Bement

“Over the three decades supercomputer throughput rates have increased dramatically from 100s of MFLOPs in 1985 to tens of PFLOPS today, making U.S. universities pre-eminent in the world in computational S&E, which is a tribute to both NSF and Centers’ dedication and leadership. Looking ahead to the impacts of synaptic computing, high-performance computing coupled with data analysis, and cloud computing coupled with the Internet of Things (IOT), the challenges and opportunities in computational S&E in all sectors of U.S. Society is projected to advance dramatically.”

Video: Towards Exascale Simulation of Turbulent Combustion

Jacqueline Chen, Sandia

“Exascale computing will enable combustion simulations in parameter regimes relevant to next-generation combustors burning alternative fuels. The first principles direct numerical simulations (DNS) are needed to provide the underlying science base required to develop vastly more accurate predictive combustion models used ultimately to design fuel efficient, clean burning vehicles, planes, and power plants for electricity generation.”

PRACEdays15 Puts the Spotlight on Irish HPC

ichec

In this report from PRACEdays15 conference in Dublin last week, Robert Roe from Scientific Computing World looks at the role of HPC in the host country, Ireland.

Video: Towards Inevitable Convergence of HPC and Big Data

Dr. Satoshi Matsuoka, University of Tokyo

Satoshi Matsuoka from the Tokyo Institute of Technology discusses Big Data at the NCSA Blue Waters Symposium. “The trend towards convergence is not only strategic however but rather inevitable as the Moore’s law ends such that sustained growth in data capabilities, not compute, will advance the capacity and thus the overall capacities towards accelerating research and ultimately the industry.”

Petascale Research in Earthquake Science on Blue Waters

OLYMPUS DIGITAL CAMERA

“SCEC’s multi-disciplinary research team is using NCSA Blue Waters to develop physics-based computational models of earthquake processes. During the past year, we integrated more realistic physics into our computational software to model frequency dependent attenuation, small-scale heterogeneities, free-surface topography, and non-linear yielding effects, all of which become increasingly important when simulating high frequency ground motions.”

DDN User Group Comes to ISC 2015 July 14

usergroup

The DDN User Group meeting will take place July 14 at ISC 2014 in Frankfurt.

Interview: Workshop on Euro/Latin American HPC Collaboration Coming to ISC 2015

Dr. Carlos Jaime Barrios Hernández

The ISC 2015 conference will feature a day-long workshop on European/Latin American HPC Collaboration. To learn more, we caught up with workshop organizer Dr. Carlos Jaime Barrios Hernández from the Universidad Industrial de Santander.