Distributed CSE Support projects
Below is a summary of the Distributed CSE Support projects that were approved at the previous rounds of funding. Individual projects will be listed once they are under contract and/or underway.
Further details of the service can be found here.
Sep'12 deadline
10 proposals for a total of 79 person-months effort were received. 8 proposals for a total of 61 person-months effort were recommended for funding.
| Principal Investigator | Project title | Effort (months) |
| Prof Jason Crain (Edinburgh) | Improving the scaling and performance of GROMACS on HECToR using single-sided communications | 6 |
| Dr Grenville Lister (Reading) | Implementing OpenIFS on HECToR | 6 |
| Dr Stephen Pickles (Science and Technology Facilities Council - Daresbury Laboratory) | Further Improving NEMO In Shallow Seas (FINISS) | 6 |
| Dr John Purton (Science and Technology Facilities Council - Daresbury Laboratory) | Parallelisation of the adaptive kinetic Monte Carlo code, DL_AKMC | 9 |
| Dr Benedict Rogers (Manchester) | Massively Parallel Computing for Incompressible Smoothed Particle Hydrodynamics (ISPH) | 9 |
| Dr Ilian Todorov (Science and Technology Facilities Council - Daresbury Laboratory) | DL_POLY_4 algorithmic improvements | 11 |
| Prof Paul Tucker (Cambridge) | Enhancement of high-order CFD solvers for many-core architecture | 8 |
| Prof Mark van Schilfgaarde (KCL) | Adapting QSGW to large multi-core systems | 6 |
Apr'12 deadline
In addition to the call for HECToR Distributed CSE Support, this call also included an extra component for University Distributed CSE support. For HECToR Distributed CSE Support, 5 proposals for a total of 30 person-months effort were received. 4 proposals for a total of 26 person-months effort were recommended for funding.
| Principal Investigator | Project title | Effort (months) |
| Dr David Bowler (UCL) | Improving CONQUEST to allow ab initio molecular dynamics calculation on 100,000+ atoms | 6 |
| Dr Catherine O'Sullivan (Imperial) | Opening up HPC to the Discrete Element Method User Community | 7 |
| Dr Prashant Valluri (Edinburgh) | Performance enhancement and optimization of the TPLS and DIM two-phase flow solvers | 8 |
| Dr James Wookey (Bristol) | Seismic wave calculation at the Hz level for a general Earth | 5 |
For University Distributed CSE Support, 15 proposals for a total of 153 person-months effort were received. 8 proposals for a total of 82 person-months effort were recommended for funding.
| Principal Investigator | Project title | Effort (months) |
| Prof Declan Bates (Exeter) | HPC implementation of Agent-Based Models for Cell Cultures | 6 |
| Prof Mark Girolami (UCL) | Parallelised Uncertainty Quantification using Differential Geometric Population MCMC | 12 |
| Prof Dieter Jaksch (Oxford) | Tensor Manipulation and Storage | 10 |
| Dr Nicolae Panoiu (UCL) | HPC Software for Massively Parallel Simulation of 3D Electromagnetic Nano-structures | 12 |
| Prof Anthony Paxton (Queen's University Belfast) | Tight binding molecular dynamics on CPU/GPU clusters | 12 |
| Prof Jason Reese (Strathclyde) | Molecular Dynamics Simulation of Multi-Scale Flows on GPUs | 12 |
| Prof Spencer Sherwin (Imperial) | Scaling the Nektar++ Spectral/hp element framework to large clusters | 12 |
| Dr Garth Wells (Cambridge) | Expressive and scalable finite element simulation beyond 1000 cores | 6 |
Nov'11 deadline
9 proposals for a total of 65 person-months effort were received. 7 proposals for a total of 46 person-months effort were recommended for funding.
| Principal Investigator | Project title | Effort (months) |
| Dr M. Sergio Campobasso (Lancaster) | Optimising the Parallelisation of a Harmonic Balance Navier-Stokes Solver for the Ultra-rapid Analysis of Wind Turbine, Turbomachinery and Aircraft Wing Periodic Flows | 6 |
| Prof C. Richard Catlow (UCL) | Microiterative QM/MM Optimisation for Materials Chemistry | 9 |
| Prof Martyn Chipperfield (Leeds) | Improved Global High Resolution Chemistry-Aerosol Modelling for Climate and Air Quality | 6 |
| Dr Jon Hill (Imperial) | Mesh reordering in Fluidity using Hilbert space-filling curves | 6 |
| Dr Chris-Kriton Skylaris (Southampton) | Multigrid solver module for ONETEP, CASTEP and other codes | 8 |
| Prof J. C. Vassilicos (Imperial) | Software Framework to Support Overlap of Communications and Computations in Implicit CFD Applications | 5 |
| Dr Tamer Zaki (Imperial) | Scalable coupling of Molecular Dynamics and Direct Numerical Simulation of multi-scale flows Part 2 | 6 |
Jun'11 deadline
10 proposals for a total of 78 person-months effort were received. 8 proposals for a total of 52 person-months effort were recommended for funding.
| Principal Investigator | Project title | Effort (months) |
| Dr David Bowler (UCL) | Improving Scaling in Conquest for HECToR Phase 3 - OpenMP-MPI Hybrid Implementation | 8 |
| Prof Gary Coleman (Southampton) | Improved Scaling for Direct Numerical Simulations of Turbulence | 6 |
| Prof Michael Fagan (Hull) | Adding Parallel I/O to PARA-BMU | 4 |
| Mr Terry Sloan (Edinburgh Parallel Computing Centre) | Bootstrapping and support vector machines with R and SPRINT on HECToR | 6 |
| Prof Kenneth Taylor (Queen's University Belfast) | RMT for High Harmonic Generation | 6 |
| Dr Ilian Todorov (Science and Technology Facilities Council - Daresbury Laboratory) | Preparing DL_POLY_4 for the Exascale | 12 |
| Prof Paul Tucker (Cambridge) | Enhancement of a high-order CFD solver for many-core architecture | 4 |
| Prof Wyn Williams (Edinburgh) | Micromagnetic modelling of naturally occurring magnetic mineral systems: II | 6 |
Dec'10 deadline
11 proposals for a total of 92 person-months effort were received. 6 proposals for a total of 42 person-months effort were recommended for funding.
| Principal Investigator | Project title | Effort (months) |
| Dr Jimena Gorfinkiel (Open University) | Parallelisation and porting of UKRMol-in the electron-molecule scattering inner region R-matrix codes | 12 |
| Dr Sergey Karabasov (Cambridge) | CABARET on Jet Flap Noise and Quasigeostrophic Ocean Circulation Models | 6 |
| Dr Colin Roach (EURATOM/CCFE Fusion Association) | Improved Data Distribution Routines for Gyrokinetic Plasma Simulations | 6 |
| Prof Kenneth Taylor (Queen's University Belfast) | Optimization of the MPI parallel RMT code for HECToR and likely successors | 6 |
| Prof J. C. Vassilicos (Imperial) | Direct Numerical Simulations (DNS) of turbulent fluid flows II | 6 |
| Dr Tamer Zaki (Imperial) | Scalable coupling of Molecular Dynamics and Direct Numerical Simulation of multi-scale flows Part 1 | 6 |
Jun'10 deadline
10 proposals for a total of 117 person-months effort were received. 10 proposals for a total of 97 person-months effort were recommended for funding. (One project for 6 person-months funding was subsequently cancelled.)
Jan'10 deadline
5 proposals for a total of 60 person-months effort were received. 2 proposals for a total of 18 person-months effort were recommended for funding.
| Principal Investigator | Project title | Effort (months) |
| Prof David Emerson (Science and Technology Facilities Council - Daresbury Laboratory) | Developing the TELEMAC system for HECToR (phase 2b & beyond) | 12 |
| Mr Terry Sloan (Edinburgh Parallel Computing Centre) | SPRINTing further with HECToR | 6 |
Sep'09 deadline
11 proposals for a total of 233 person-months effort were received. 8 proposals for a total of 90 person-months effort were recommended for funding.
| Principal Investigator | Project title | Effort (months) |
| Prof C Richard Catlow (UCL) | Optimising the performance of the VASP code on HECToR | 12 |
| Dr Jon Hill (Imperial) | Improving Load Balancing and Parallel Partitioning in Fluidity | 12 |
| Dr Andrew Horsfield (Imperial) | Metal Conquest | 12 |
| Dr Barbara Montanari (Science and Technology Facilities Council - Rutherford Appleton Laboratory) | Implementation of a Divide and Conquer Strategy for the Materials Modelling Code CRYSTAL | 18 |
| Dr Gernot Plank (Oxford) | Performance Optimizations for CARP | 8 |
| Dr Matt Probert (York) | A New CASTEP and ONETEP Geometry Optimiser | 12 |
| Dr Ilian Todorov (Science and Technology Facilities Council - Daresbury Laboratory) | Improvements for multi-core performance and domain choice within DL_POLY_4 | 10 |
| Prof Wyn Williams (Edinburgh) | Micromagnetic modelling of naturally occurring magnetic mineral systems | 6 |
June'09 deadline
5 proposals for a total of 74 person-months effort were received. 2 proposals for a total of 12 person-months effort were recommended for funding.
| Principal Investigator | Project title | Effort (months) |
| Dr Ben Slater (UCL) | Improving the scalability of CP2K on multi-core systems | 6 |
| Mr Terry Sloan (Edinburgh Parallel Computing Centre) | SPRINTing with HECToR | 6 |
Mar'09 deadline
6 proposals for a total of 101 person-months effort were received. 5 proposals for a total of 62 person-months effort were recommended for funding.
| Principal Investigator | Project title | Effort (months) |
| Prof Dario Alfè (UCL) | Adding the molecular dynamics functionality to the quantum Monte Carlo code CASINO | 18 |
| Prof M Merlyne De Souza (Sheffield) | Improving the performance of GWW | 16 |
| Dr Graham Mann (Leeds) | Performance enhancements for the GLOMAP aerosol model Part 2 | 4 |
| Dr Colin Roach (EURATOM/CCFE Fusion Association) | Fast Fourier Transformations for gyrokinetic plasma simulations | 6 |
| Dr Ilian Todorov (Science and Technology Facilities Council - Daresbury Laboratory) | Implementing dynamic load balancing and rigid body dynamics within DL_POLY_3 | 18 |
Dec'08 deadline
12 proposals for a total of 220 person-months effort were received. 8 proposals for a total of 118 person-months effort were recommended for funding.
| Principal Investigator | Project title | Effort (months) |
| Dr Gary Coleman (Southampton) | Scaling turbulence applications to thousands of cores | 12 |
| Mr Paul Graham (Edinburgh Parallel Computing Centre) | Porting OpenFOAM to HECToR | 6 |
| Dr Sergey Karabasov (Cambridge) | Parallelisation of CABARET | 12 |
| Dr Keith Refson (Science and Technology Facilities Council - Rutherford Appleton Laboratory) | Hybrid time-dependent density functional theory in CASTEP Part 2 | 12 |
| Prof Kenneth Taylor (Queen's University Belfast) | Implementation of established algorithms to extend HELIUM | 44 |
| Dr Ilian Todorov (Science and Technology Facilities Council - Daresbury Laboratory) | Optimisation of the Input and Output (I/O) in DL_POLY_3 | 6 |
| Dr Martin Turner (Manchester) | Massive Remote Batch Visualizer MRBV | 12 |
| Prof J. C. Vassilicos (Imperial) | Direct Numerical Simulations (DNS) of turbulent fluid flows | 16 2/3 |
Aug'08 deadline
5 proposals for a total of 90 person-months effort were received. 3 proposals for a total of 28.5 person-months effort were recommended for funding.
| Principal Investigator | Project title | Effort (months) |
| Dr Graham Mann(Leeds) | Performance enhancements for the GLOMAP aerosol model Part 1 | 6 |
| Dr Keith Refson (Science and Technology Facilities Council - Rutherford Appleton Laboratory) | Hybrid time-dependent density functional theory in CASTEP Part 1 | 10.5 |
| Dr Jeroen van Hunen (Durham) | Support for multigrid improvements to Citcom | 12 |
Apr'08 deadline
6 proposals for a total of 88 person-months effort were received. 5 proposals for a total of 58 person-months effort were recommended for funding. (One applicant subsequently declined the offer of funding for 12 person-months.)
| Principal Investigator | Project title | Effort (months) |
| Dr Mike Ashworth (Science and Technology Facilities Council - Daresbury Laboratory) | Fluidity-ICOM: High Performance Computing Driven Software Development for Next-Generation Modelling of the Worlds Oceans | 12 |
| Prof David Emerson (Science and Technology Facilities Council - Daresbury Laboratory) | Porting and Optimisation of Code_Saturne on HECToR | 18 |
| Dr Alan Gadian (Leeds) | WRF code optimisation for Meso-scale Process Studies (WOMPS) | 10 |
| Dr Ben Slater (UCL) | Improve scalability of domain decomposition within CP2K | 6 |
Jan'08 deadline
8 proposals for a total of 132 person-months effort were received. 5 proposals for a total of 69 person-months effort were recommended for funding.
| Principal Investigator | Project title | Effort (months) |
| Prof Dario Alfè (UCL) | Improving the parallelisation and adding functionality to the quantum Monte Carlo code CASINO | 12 |
| Prof C Richard Catlow (UCL) | Parallel Algorithms for the efficient massively-parallel tools for the study of catalytic chemistry | 9 |
| Dr Paul Connolly (Manchester) | Cloud and Aerosol Research on Massively-parallel Architectures (CARMA) | 12 |
| Prof Nic Harrison (Imperial) | Parallel algorithms for the materials modelling code CRYSTAL | 24 |
| Dr Martin Plummer (Science and Technology Facilities Council - Daresbury Laboratory) | Future-proof parallelism for the electron-atom scattering codes PRMAT | 12 |
Sep'07 deadline
4 proposals for a total of 54 person-months effort were received. 2 proposals for a total of 14 person-months effort were recommended for funding.
| Principal Investigator | Project title | Effort (months) |
| Dr Andrew Coward (Southampton) | OCEANS 2025 | 6 |
| Dr Keith Refson (Science and Technology Facilities Council - Rutherford Appleton Laboratory) | Enhanced parallel heirarchy for the materials modelling code CASTEP for the UKCP | 8 |
Further information
The HECToR CSE support team can be contacted at hector-helpdesk@nag.co.uk, or via the HECToR Help Desk.
