ABINIT on High-performance Supercomputers

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gonze
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Joined: Fri Aug 14, 2009 8:29 pm

ABINIT on High-performance Supercomputers

Post by gonze » Sat Aug 27, 2011 4:39 pm

Registration deadline: September 13th 2011

International school on

EXTENDING THE FIELD OF AB INITIO NANOSCIENCE SIMULATIONS
WITH HIGH PERFORMANCE SUPERCOMPUTERS
Using ABINIT on hundreds to thousands of processors

November 14th to November 18th 2011


http://sites.google.com/site/abinit2011tutorial


The motivation of this international school is to present some recent advances concerning the use of parallelism in ab initio electronic structure calculations, as implemented in the ABINIT package.
It will review the theoretical side and hands-on sessions will be proposed using the ABINIT software (http://www.abinit.org).
Hands-on sessions wll benefit from the TGCC supercomputer resources on hundreds of processors.

*** Topics covered (all will focus on parallelism):
- Introduction to parallelism and parallel algorithms
- Ground State Calculations (using plane-waves or wavelets)
- Molecular Dynamics
- Transition paths: Nudge Elastic Band and associated methods
- Excited States (GW, Bethe Salpeter Equation, ...)
- Density Functional Perturbation Theory
- Use of Graphics Accelerators (GPU) for DFT simulations

*** Organizers:
Bernard Amadon, François Bottin, François Jollet, Marc Torrent,
(CEA, DAM, DIF, F 91297 Arpajon, France)
Email: abinit.tutorial.2011@gmail.com

*** Location:
Bruyeres-le-Chatel (France)
Très Grand Centre de Calcul (Very Large Computing Center)
Bruyeres-le-Chatel is 30 km south of Paris

*** Registration:
The school is open to students, postdocs and researchers. Candidates should register on the web site:
http://sites.google.com/site/abinit2011tutorial
The registration fee of 350 euros covers lectures, accomodation and full board.
Registration will be confirmed according to availability and access conditions in an European Supercomputing Center.

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