ASEArch - Algorithms and Software for Emerging Architectures


PI: Prof Mike Payne (Cambridge)

CCP9 is the Collaborative Computational Project for the Study of the Electronic Structure of COndensed Matter.

The field includes the study of metals, semiconductors, magnets, and superconductors from microscopic quantum mechanical calculations. The activities of CCP9 encompass such highly topical areas as magneto-electronics (GMR, CMR, spin-transistors), photonics, nano-technology, high-temperature superconductors, and novel wide band gap semiconductors (eg GaN, diamond films).

For further information on this CCP please follow this link.

CASTEP and ONETEP are the two major codes in this CCP. 

Karl Wilkinson at Southampton has done a lot of work on the use of GPUs for "box" operations within ONETEP.

A study group was held on January 21st/22nd, 2014 to discuss the use of multigrid solvers within both CASTEP and ONETEP.  This led to plans to develop a GPU version of an existing multigrid solver for CPUs.

A talk was given on the multigrid solver at the Copper Mountain Multigrid Conference in April 2014.

ASEArch contact: Lucian Anton (Daresbury)