HECToR Distributed CSE Support Technical Meeting
Manchester
4th-5th October 2011
The second dCSE technical meeting took place at the Bruntwood Meeting Rooms, 1 Portland Street, Manchester. This event was an opportunity for those involved with dCSE projects to:
- Focus on Computational Science and Engineering;
- Share experiences;
- Identify common issues and solutions;
- Strengthen HPC in the UK.
The following are copies of the talks given on Tuesday 4th October:
- Introduction (Mike Dewar, NAG)
- HECToR enabled Step Change in Turbulent Multiphase Combustion Simulation (Lucian Anton, NAG)
- Integrating the Zoltan parallel partitioning and data distribution library into Fluidity (Paul Woodhams, NAG)
- Implementation of a Divide and Conquer Linear Scaling Algorithm in the CRYSTAL Code (Daniel Jones, NAG)
- Developing hybrid OpenMP/MPI parallelism for Fluidity/ICOM (Xiaohu Guo, STFC)
- Developing the TELEMAC system for HECToR (phase 2b & beyond) (Zhi Shang, STFC)
- Developing NEMO for Large Multi-core Scalar Systems (Stephen Pickles, STFC)
- Boosting the scaling performance of CASTEP:enabling next generation HPC for next generation science (Dominik Jochym, STFC)
- Parallelisation and porting of UKRMol-in codes (Michael Lysaght, The Open University)
- HECToR optimization of the RMT program (Laura Moore/Jonathan Parker, Queen's University Belfast)
- Combined-Multicore Parallelism for the UK electron-atom scattering Inner Region R-matrix codes on HECToR (Martin Plummer, STFC)
The following are copies of the talks given on Wednesday 5th October:
- Introduction (Mike Dewar, NAG)
- ParaFEM:Microstructurally Faithful Modelling Of Materials (ParaFEM movie) (Louise Lever, University of Manchester)
- Improvements for multi-core performance and domain choice within DL_POLY_4 (Ian Bush, NAG)
- Improved Data Distribution Routines for Gyrokinetic Plasma Simulations (Adrian Jackson, EPCC)
- DNS of turbulent flows (Ning Li, NAG)
- Discussion on FFTs in HPC (Ning Li, NAG)
- Introducing k-point parallelism into VASP (Asimina Maniopoulou, NAG)
- Enhancing Conquest for accurate, scalable simulation of entire biological molecules (Lianheng Tong, UCL)
- GloMAP mode on XE6 (Mark Richardson, NAG)
