ASEArch - Algorithms and Software for Emerging Architectures

Multigrid workshop

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.

Day 1:

  1. Introduction - Lucian Anton
  2. Introduction to CASTEP - Phil Hasnip
  3. Introduction to ONETEP - Chris Skylaris
  4. Solvation calculation for ONETEP - Jacek Dziedzic
  5. DL-MG Multigrid solver for PE and PBE - Lucian Anton
  6. Efficient multigrid solvers for strongly anisotropic PDEs in atmospheric modelling I:
    Background, Algorithms & Performance on CPU clusters - Eike Muller

Day 2:

  1. Electrostatics in DL-POLY 4 - Ian Bush
  2. DL-POLY 4 and solvation calculation - Ilian Todorov
  3. Multigrid solvers in CFD - Dave Emerson
  4. Efficient multigrid solvers for strongly anisotropic PDEs in atmospheric modelling II:
    GPU Implementation and Scaling on Titan - Eike Muller
  5. Brief description of ICOMEX - Steve Sandbach
  6. Multigrid solvers in PETSc - Xiaohu Guo