This workshop at Daresbury on Jan 21-22, 2014, addressed the topic of multigrid solvers for the CASTEP and ONETEP codes used and developed by CCP5, CCP9, CCP-NC.
The notes for the meeting are available here.
- Introduction - Lucian Anton
- Introduction to CASTEP - Phil Hasnip
- Introduction to ONETEP - Chris Skylaris
- Solvation calculation for ONETEP - Jacek Dziedzic
- DL-MG Multigrid solver for PE and PBE - Lucian Anton
- Efficient multigrid solvers for strongly anisotropic PDEs in atmospheric modelling I:
Background, Algorithms & Performance on CPU clusters - Eike Muller
- Electrostatics in DL-POLY 4 - Ian Bush
- DL-POLY 4 and solvation calculation - Ilian Todorov
- Multigrid solvers in CFD - Dave Emerson
- Efficient multigrid solvers for strongly anisotropic PDEs in atmospheric modelling II:
GPU Implementation and Scaling on Titan - Eike Muller
- Brief description of ICOMEX - Steve Sandbach
- Multigrid solvers in PETSc - Xiaohu Guo