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InTheLoop | 12.02.2013

December 2, 2013

Big Data Hits the Beamline

DEIXIS Magazine Annual 2013 featured Jack Deslippe, NERSC, and Craig Tull, CRD, in an article about the growing flow of data from light sources. The two are working to move beamline data in real time via ESnet to some of the nation's most powerful open-science computers at NERSC, where it is processed, analyzed and visualized on the fly. Tull and Deslippe are working with the Advanced Light Source (ALS) at the Lab, but their work can be extended to work with other light sources. "We're trying to move the typical data-intensive beamline into a world where they can take advantage of leadership-class, high-performance computing abilities," says Tull, who leads the project. "In the final analysis what we're trying to do is drive a quantum leap in science productivity." »Read more.

CRD Supports TechWomen 2013

Each year TechWomen connects women from Middle Eastern countries with their professional counterparts in the U.S. and gives them access to networks, resources and industry contacts. This year—the Lab's third—Daniela Ushizima, CRD, mentored Salma Elaoud for her month-long residency. An assistant professor at the Higher Institute of Computer Science and Multimedia in Sfax, Tunisia, Elaoud worked with Ushizima to organize a set of math classes using digital image processing as the motivation to learn linear algebra. Elaoud was one of five participants in hosted at the Lab under this U.S. State Department program. »Read more.

Reminder: Key 2014 NERSC Deadlines Approaching

NERSC has several key deadlines approaching for awards of computing time and honors.

DECEMBER 8, 11:59 PM Pacific Time | NERSC Initiative for Scientific Exploration (NISE)
NERSC Users may now submit requests for the 2014 program. The deadline to apply is Sunday December 8, 11:59 PM Pacific Time. About 100 million MPP hours will be available for the 2014 allocation year (January 14, 2014 - January 12, 2015). »Read more.

DECEMBER 10, 11:59 PM Pacific Time | Data Intensive Computing Pilot Program
This pilot aims to support and enable scientists to tackle their most demanding data intensive challenges. Selected projects for this second round of awards will be piloting new methods and technologies targeting data management, analysis, and dissemination. The deadline to apply is Tuesday, December 10, 11:59 PM Pacific Time. »Read more.

DECEMBER 16, 2013 | 2014 NERSC Achievement Awards
Nominations are open for the 2014 NERSC Award for Innovative Use of High Performance Computing and the 2014 NERSC Award for High Impact Scientific Achievement. NERSC principal investigators, project managers, PI proxies, and DOE program managers may nominate any NERSC user or collaboration. The deadline for nominations is Monday December 16, 2013. »Read more.

This Week's Computing Sciences Seminars

»View the CS Seminars calendar.

Routing Economics Under Big Data

Monday, December 2, 2013, 1:00pm - 2:00pm, Bldg. 50A, Room 5132
Murat Yuksel, The University of Nevada - Reno (UNR)

As datacenters are gaining more importance in the Internet, the need for bulk data (a.k.a. "big data") transfers intra- and inter-datacenter transfers is more paining. Most of the end-to-end (e2e) sessions are now going through a datacenter, and thus, the performance of large "big data" intra- and inter-datacenter transfers is very important to the overall Internet experience. More essentially, these big data transfers are crucial to the operation of the datacenters due to the needs for large bulks of transfers for maintenance and backup of the data centers. However, ramifications and economics of these big data flows on the Internet routing are still being explored.

In this talk, I will discuss issues under this new economics of routing in the Internet. Starting with a refresher on routing basics, I will present comparative evaluation of the current economic granularity of Internet routing against an architecture with a finer abstraction of Internet Service Providers (ISPs). Then, I will elaborate on routing scalability issues emerging with these big data flows and offer a cloud-based approach as a potential solution, i.e., "cloud-assisted routing". Finally, I will argue for leveraging multi-core routers to parallelize the big data transfers by using each core in the routers to calculate a separate shortest path, i.e., "parallel routing". I will present some of the initial results for these concepts and expand on potential future directions.

Recent DFT and TDDFT developments in NWChem for valence and core spectroscopies

Monday, December 2, 2013, 2:00pm - 3:00pm, Bldg. 50F, Room 1647
Niri Govind
, Pacific Northwest National Laboratory

In this seminar recent and ongoing developments in NWChem geared towards studying excited states with linear-response (LR) and real-time (RT) TDDFT will be presented. I will first highlight our recent efforts in the development of range-separated exchange-correlation functionals, their performance in the description of excited states when compared with higher-order approaches and how they can be further improved using fundamental DFT principles. Next, our recent developments in accurately modeling ultrafast electron dynamics and above ionization excitations using RT-TDDFT will be presented. Finally, new developments and applications in the calculation of core-level excitations (pre and near-edge X-ray spectra) will also be presented.

Link of the Week: Contest Calls for 21st Century "Chemistry Set"

Many of today's scientists are of a generation inspired to their calling through a toy: The chemistry set. While the alluring possibility of creating an explosion or a boiling stew of chemicals still calls to kids, the chemistry set is due for an update, according to the Society for Science & the Public. Their SPARK project, conducted in collaboration with the Gordon and Betty Moore Foundation, is offering $50,000 in prizes to adults who "generate a new set of experiences and activities that capture children's imagination in science, spark and fuel their interests, and foster persistent curiosity and creativity." Whether that's a new kind of chemistry set or a video game or a little bit of both remains to be seen. The deadline for entries is January 8, 2014. »Read more.

InTheLoop Archive has Moved to New CS Web Site

An index of past InTheLoops (from 2010 on) is now on the new Computing Sciences website at: http://cs.lbl.gov/news-media/intheloop/ . Issues from 1997 to 2009 will be moved over as time permits.