Transformative Discovery in Computational Nanoscience, Advanced Materials and Energy Research , February 5-8, 2012
JICS Auditorium, Building 5100
1 Bethel Valley Road
Oak Ridge, TN
Transformative discovery in computational nanoscience, advanced materials and energy research require breakthroughs in theoretical models, algorithms and software capable of using multicore chips and accelerator hardware such as graphics processor unit (GPU) or similar. This conference seeks to bring together computationally oriented scientists interested in using accelerator coprocessors in electronic structure theory. We will discuss recent advances, barriers and perspectives in modeling electronic structure on accelerators. We expect talks from speakers representing industry (Nvidia, Intel, Cray, and PGI) end developers of several electronic structure packages (BigDFT, NWChem, Gamess, ACES III, TeraChem, QMC Pack, Quantum Espresso, Madness).
- Increased awareness of ongoing efforts in accelerator based electronic structure methods, its current status and recent algorithmic achievements.
- Initiating new collaborations and related knowledge transfer and exchange of experience in modeling electronic structure with hardware accelerators between scientists and method developers.
- To highlight new algorithms and methods for hardware-accelerated electronic structure codes
- Direct on-site training to BigDFT code
- Cliff Woolley (NVidia)
- Jim Jeffers (Intel)
- Dave Norton (PGI)
- Oscar Hernandez (OpenACC, ORNL)
- Teresa Windus (Gamess/NWChem, Iowa State University)
- Robert Harrison (Madness/NWChem, JICS)
- Sriram Krishnamorthy (NWChem, PNNL)
- Nathan Luehr (TeraChem, Stanford University)
- Luigi Genovese (BigDFT, CEA, France)
- Thierry Deutch (BigDFT, CEA, France)
- Marco Buongiorno-Nardelli (Quantum Espresso, North Carolina State University)
- Erik Deumens (ACES III, University of Florida)
Overview of agenda:
- Sunday, Feb. 5:
- (evening) early registration and reception at Knoxville Downtown Hilton Hotel Knoxville (Smoky B & C Room)
- Monday, Feb. 6:
- programming on hardware accelerators
- poster session (evening); a GPU card C2075 will awarded for best poster
- Tuesday, Feb 7:
- electronic structure applications
- Wednesday, Feb. 8:
- bigDFT hands on session
All sessions except Sunday evening will held in JICS building at ORNL. A Sunday meeting (early registration and reception) will be held in Knoxville at the Downtown Hilton Hotel. An ORNL bus (free of charge) between Hilton Hotel in Knoxville and Oak Ridge National Laboratory will be provided for workshop attendees.
Locations and Transportation
Registration will be held at the Knoxville Downtown Hilton Hotel, and all other sessions will be held at JICS in Oak Ridge. Transportation will be provided from the Hilton to JICS. The bus will leave the Hilton at 7:45 am on Monday, Tuesday and Wednesday morning.
View a list of Local Restaurant’s and Visitor Information.
More information at http://www.nics.tennessee.edu/feb-2012-accelerator-workshop
Category: Training & Events