Modelling & simulation

Intel Parallel Computing Centre: progress report

Author: Adrian Jackson
Posted: 21 Nov 2014 | 10:29

EPCC's Grand Challenges Optimisation Centre, an Intel Parallel Computing Centre which we announced earlier in the year, has made significant progress over recent months. 

The collaboration was created to optimise codes for Intel processors, particularly to port and optimise scientific simulation codes for Intel Xeon Phi co-processors. As EPCC also runs the ARCHER supercomputer, which contains a large number of Intel Xeon processors (although no accelerators or co-processors), for EPSRC and other UK research funding councils, we also have a strong focus on ensuring that scientific simulation codes are highly optimised for these processors. Therefore, the IPCC work at EPCC has been concentrating on improving the performance of a range of codes that are heavily used for computational simulation in the UK on both Intel Xeon and Intel Xeon Phi processors.

Nu-FuSE: An Exascale software project

Author: Adrian Jackson
Posted: 16 Nov 2014 | 23:11

The Nu-FuSE (Nuclear Fusion Simulations at Exascale) project was a 3-year, G8 funded, international research project to investigate the challenges and requirements for fusion simulations at Exascale levels. The project’s aim was to significantly improve computational modelling capabilities for fusion, and fusion-related sciences, enhancing the predictive capabilities needed to address key physics challenges of a new generation of fusion systems. 

Collaboration with UK Met Office

Author: Nick Brown
Posted: 7 Nov 2014 | 15:39

We are working with the UK Met Office on a project to rewrite one of their weather forecasting models. Whilst the best known weather model is the Unified Model (UM), which generates the national and international forecast on a scale of 1km, the Met Office also has a number of other specialist models that concentrate on specific areas.  An example of this is in the study of cloud and cloud convection, in which case one often uses a Large Eddy Simulation (LES) model which handles turbulence in much more detail. 

Improving the performance of TINKER, a molecular dynamics codebase

Author: Guest blogger
Posted: 4 Nov 2014 | 10:52

Justs Zarins reports on his work to improve the performance of TINKER, a molecular dynamics codebase. This 3-month dissertation project was undertaken as part of his MSc in High Performance Computing at EPCC. Justs has now joined EPCC as a post-graduate researcher.

EPCC at the British Science Festival 2014

Author: Nick Brown
Posted: 10 Sep 2014 | 12:30

Every year the British Science Festival (BSF) visits a city in the UK and engages the public with the latest and greatest science, engineering and technology. It is a fantastic opportunity for people to get involved in science and the programme contains a wide variety of activities to ensure the festival appeals to all ages.

This was the third year that EPCC has been involved with the BSF. We travelled down to Birmingham where we held an exhibition entitled “Supercomputing: From dinosaurs to particle physics” on the Saturday, which was aimed primarily at families. We were based in the Library of Birmingham along with a number of other highly-engaging events that all aimed to introduce the public to HPC and to encourage the next generation of computational scientists.

CP2K training ramps up

Author: Iain Bethune
Posted: 5 Sep 2014 | 19:50

I spent a couple of days last week at Imperial College's Department of Chemistry running a 2-day training course on CP2K. The course was hosted by NSCCS - the National Service for Computational Chemistry Software, and ARCHER - the National HPC Service we manage here in Edinburgh.

I've blogged before about the CP2K-UK project, a direct result of EPSRC's recognition of the growing community of CP2K users in the UK. Currently around £25,000 worth of CPU time is used per month on ARCHER for CP2K calculations, so it is important that users have access to the latest information on how to make the best use of the code.

HPC for business

Author: Mark Sawyer
Posted: 18 Aug 2014 | 13:10

The Fortissimo project, which is coordinated here at EPCC, gives companies a low-risk opportunity to try out HPC. By combining it with cloud computing, they can gain the benefits without buying and running their own systems. Here are three examples of HPC in action under Fortissimo.

Powering wave energy

Author: Guest blogger
Posted: 18 Jul 2014 | 15:05

Pelamis Wave Power Ltd, the Edinburgh-based developer of leading wave energy technology, is making use of EPCC’s INDY cluster to accelerate the designs for the first wave farms. 

ARCHER Phase 2 User Meeting

Author: Adrian Jackson
Posted: 16 Jul 2014 | 18:47

Last week saw EPSRC host a user meeting to discuss the phase 2 upgrade of ARCHER, the UK's national supercomputing service.

Autotuning NekBone for OpenACC

Author: Luis Cebamanos
Posted: 3 Jul 2014 | 12:12

Nek5000 being used to simulate of turbulent thermal transport in sodium-cooled reactor cores. Courtesy of Argonne National Laboratory.

Heterogeneous HPC architectures are becoming increasingly prevalent in the Top500 list with CPU-based nodes being enhanced by accelerators or coprocessors optimized for floating-point calculations. This trend is likely to increase as we move towards Exascale (1018 flops) capable systems and it is vital that the relevant HPC applications are able to exploit this heterogeneity [1, 2]. 

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