New Year, New Institution?

If you are a Project PI who has recently changed institution (or is about to) it’s important that you let us know. Guidance for what to do in this circumstance has now been updated on our website but if you have any questions your first point of contact should be always be your local helpdesk. You should also let your local helpdesk know if your project has come to an end so we can accurately record the number of active projects on our systems.

Joint MCC-UKCP-EPCC Workshop on Ab initio Periodic Codes

This 4 day workshop will run from Tuesday 19 January to Friday 22 January and is intended for advanced users of ab initio periodic codes on high performance computers (HPC) who want to:

  • Learn to tailor the choice of code to the project, to increase efficient exploitation of HPC
  • Explore the capabilities of other codes
  • Get more closely connected with the code experts and developers, as well as HPC experts

At this advanced workshop, you will have the chance to perform calculations with a variety of ab initio periodic codes on ARCHER, the latest UK National Supercomputing Service. The main codes represented at the workshop are: CP2K, ONETEP, CRYSTAL, Quantum Espresso, CASTEP and VASP.

Thanks to the hands-on focus of the workshop, you will be able to familiarise yourself with codes by means of tutorials, and begin to apply codes you are not familiar with to your own projects. Tutors will give general presentations on the codes, and offer guidance in the hands-on sessions and one-to-one discussions.

The workshop is organised jointly by the Edinburgh Parallel Computing Centre (EPCC), home of ARCHER and a PRACE Advanced Training Centre, and two UK High End Computing Consortia that provide ARCHER computing resources to their members: the Materials Chemistry Consortium (MCC), and the United Kingdom Car Parrinello (UKCP) Consortium.


Dominik Jochym
Phil Hasnip
James Kermode
Stefano Fabris
Carlo Cavazzoni
Tim Zuehlsdorff
Nick Hine
Martijn Marsman
Jonathan Skelton
Ricardo Grau-Crespo
Matt Watkins
Lianheng Tong
Iain Bethune
Leonardo Bernasconi
Barry Searle

Eligibility: You need to be an experienced, intensive user of ab initio periodic codes on HPC and have an active account on ARCHER. Please provide your ARCHER username. Priority will be given to groups affiliated with MCC or UKCP. If you are not a member yourself, please provide the name of a consortium member you are associated with.

Registration: This workshop is free to attend but attendees will need to cover their own costs for travel, accommodation and evening meals; for more information and to register please click here.

NAFEMS Seminar 10 February 2016, The Place Aparthotel, Manchester

NAFEMS will be running a one-day seminar titled Improving High Performance Computing (HPC) Adoption in Engineering Simulation on Wednesday 10 February 2016, to be held at The Place Aparthotel, Manchester.



Topics to be covered include:

  • How to get started with HPC – SHAPE initiative promoting HPC adoption for SMEs
  • UK e-Infrastructure and academic/industry collaboration
  • Accessibility  from Windows platform, Virtual CAE Desktop, Cloud Computing
  • Cyber security
  • UK strategy for promoting HPC in industry, vision and aspirations, government view
  • Benchmarking for performance and realism
  • Future prospects for engineering simulation, Exascale and beyond.


09:00              Coffee & Registration

09:45              Chairman’s Welcome & Introduction, Lee Margetts, University of Manchester

KEYNOTE PRESENTATION:  Driving Virtual Engineering with High Performance Computing, Andy Searle, Jaguar Land Rover

Vendor talk: Applied Computing

SHAPE : A Tailored Pan European HPC Enabling Programme for Increasing the Competitiveness of European SME, Stephane Requena, GENCI France 

Vendor talk- Transtec

UKe-Infrastructure for Enabling Research through the use of HPC, Andrew Richards, Oxford eResearch Centre

Vendor talk – ENGYS

13:00              Lunch Break

14:00              Large Scale Industrial Simulations on 3rd Party HPC Systems, Leigh Lapworth, Rolls Royce Plc.

Vendor talk – Ceetron AS

Promoting HPC for the Benefit of UK Industry with a View from a UK Government e-Infrastructure Leadership Council Member, Andrew Jones, NAG Ltd. 

Vendor talk – Siemens

NAFEMS HPC Performance Benchmarks Initiative, Ian Symington, NAFEMS 

Data Centric Systems(DCS): Architecture and Solutions for High Performance Computing, Big Data and High Performance Analytics for Engineering Simulations, Chris Thompson, IBM Research UK

16:40              Summary and Closing Remarks

17:00              Close

Tickets for the event are priced at £165 for NAFEMS members and £225 for none members. For more details about the event and to register, please visit the event webpage.


Dr Lee Margetts elected Vice-Chairman of the PRACE Industrial Advisory Committee

Dr Lee Margetts has been elected Vice-Chairman of the PRACE Industrial Advisory Committee. PRACE, the Partnership for Advanced Computing in Europe, provides Europe’s “leadership class” supercomputing infrastructure. The systems and services accessible through PRACE are provided by 4 PRACE members (BSC Spain, CINECA Italy, GCS Germany and GENCI France), a commitment valued in excess of €500 million. The PRACE Industrial Advisory Committee is responsible for guiding PRACE in the development of its business engagement strategy. In addition to its academic and scientific goals, PRACE aims to promote the adoption of supercomputing in industry, boosting the economic impact of HPC in Europe. Lee joined the PRACE Industrial Advisory Committee in May 2013 and was elected as Vice-Chairman in November 2015.

Big Data in the Physical Sciences: Alan Turing Institute (ATI) Data Science Exploiter Summit

This one-day event will take place on the 13th January 2016 at the Royal Society in London and will bring together UK researchers, industry, and public sector funders to discuss the requirements, challenges, and opportunities of data science applications in the physical sciences. The summit will show up routes for engagement with the ATI, and help inform the future priorities of ATI work. Results of the summit will be compiled into a white paper.

Topics will include:

* Large data collection and fast data selection/indexing;
* Hardware and software challenges and solutions, e.g. data storage/preservation and dissemination/sharing, distributed computing, exploiting GPUs;
* Data mining and inference on big data and big models;
* Compute- and data-intensive simulations, and error analysis and control;
* The impact of big data on experimental design and research strategies

The summit is free to attend but spaces are limited with registration closing on the 9th December.  Further information and registration is available at online.

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