Tag: science

New Approach to Computationally Designing Drugs for GPCRs

Sep 8, 2016 |

Modeling protein interactions with drugs has long been computationally challenging. One obstacle is these interactions often take relatively long to occur and conventional molecular dynamics simulation is insufficient. This week a group of researchers, using several EXSEDE supercomputers, report a hybrid in silico-experimental approach that shows promise as a drug design tool for use with G protein-coupled receptors (GPCRs)

HPC On Common Ground @ SC16

Aug 31, 2016 |

Norman Borlaug was one of the most important scientists of all time and the only person to have been credited for saving one billion people from starvation. He was awarded the Nobel Peace Prize in 1970, a Presidential Medal of Freedom, a Congressional Gold Medal, and became known around the world as the Father of The Green Revolution.

“Stream”-lining the Scientific Process at XSEDE

Jul 28, 2016 |

Indiana University and the National Science Foundation (NSF) have announced that Jetstream, the first-ever NSF-supported cloud resource for science and engineering research, will go into full operations as of September 1. But Jetstream is not your typical HPC supercomputer. “NSF, the IU Pervasive Technology Institute (PTI), and our many partners are embarking on a journey to operate a system that is both a production cloud and a first of a kind pilot project,” said IU’s Craig Stewart.

Alternative Supercomputing or How to Misuse a Computer

Jul 14, 2016 |

In 2008, the IBM Roadrunner supercomputer broke the petaflops barrier using the power of the heterogeneous Sony Cell Broadband Engine (BE) processor. A year prior, the Cell BE had already made its way into the consumer market as the engine inside the SonyPlaystation 3. The PS3’s accelerated design, Linux-capability and low price point…

XSEDE16 Program Emphasizes Inclusion, Says Chair Kelly Gaither

Jun 29, 2016 |

Ahead of XSEDE16, which takes place in Miami from July 17-21, HPCwire reached out to conference chair Dr. Kelly Gaither to get the inside track on this year’s program, her work in scientific visualization and her commitment to increasing diversity in HPC. Gaither serves as the director of Visualization at the Texas Advanced Computing Center at The University of Texas at Austin. She has over 30 refereed publications in fields ranging from computational mechanics to supercomputing applications to scientific visualization. Over the past ten years, she has actively participated in conferences related to her field and has given numerous invited talks.

Europe’s Fastest Supercomputer to Get Pascal GPU Upgrade

Apr 6, 2016 |

Already Europe’s fastest supercomputer at 7.8 petaflops, the Piz Daint (hybrid CPU/GPU Cray XC30) at the Swiss National Computing Center (CSCS) will double its performance with a massive upgrade that involves switching to NVIDIA’s newest Pascal GPU architecture and merging with Piz Dora (Cray XC40), a smaller CPU-based machine. The announcement was made at GTC16…

Simulating Combustion at Exascale: a Q&A with ISC Keynoter Jacqueline Chen

Mar 14, 2016 |

At the 2016 ISC High Performance conference this June, distinguished Sandia computational combustion scientist Jacqueline H. Chen will deliver a keynote highlighting the latest advances in combustion modeling and simulation. In this interesting and informative Q&A, Chen describes the challenges and opportunities involved in preparing combustion codes for exascale machines.

South Africa Maps HPC Future as SKA Plans Take Shape

Mar 1, 2016 |

The South African Center for High Performance Computing’s (SA-CHPC) Ninth Annual National Meeting was held Nov. 30 – Dec. 4, 2015, at the Council for Scientific and Industrial Research (CSIR) International Convention Center in Pretoria, SA. The award-winning venue was the perfect location to host what has become a popular industry, regional and educational showcase.

Final Obama Budget Lauds Innovation, Unlocks NSCI Funding

Feb 10, 2016 |

On Tuesday, President Obama released his fiscal year 2017 budget, the final budget of his administration. Broadly focused on America’s economic prosperity and national security goals, the $4.1 trillion spending plan for fiscal year 2017 emphasizes a great number of grand challenges that require robust investments in research and development (R&D); innovation; and STEM education. The science, Read more…

Berkeley Lab Celebrates New Home of NERSC, ESnet

Nov 13, 2015 |

On November 12, 2015, the Department of Energy’s (DOE) Lawrence Berkeley National Laboratory officially opened its state-of-the-art facility for computational science built on a hillside overlooking the UC Berkeley campus and San Francisco Bay. The modern building, named Wang Hall in honor of noted semiconductor researcher and long-time UC Berkeley professor Shyh Wang, will house Read more…