Posted: 28 Sep 2016 | 15:06
September seems to have passed by in a bit of a blur, and it's already a whole month since the CP2K Summer School, which we ran at King's College London (23-26th August), so I thought it would be a good time to give an update on the recent activities of the CP2K-UK project.
Posted: 4 Mar 2016 | 12:42
Last week we held the 3rd annual CP2K users group meeting down at Kings College London. Amazingly, we are already half-way through the 5-year 'CP2K-UK' project - the EPSRC-funded community support effort that I'm leading - how time flies! It was great to see these meetings continue to go from strength to strength. This year we had over 50 people there on the day from around the UK but also a significant proportion from overseas too! While the primary aim of our activities is to support the UK research community, if we have a wider impact that's of course a bonus.
Posted: 15 Feb 2016 | 15:38
In early December we added a visualisation of the most heavily used application codes to the ARCHER website. At the moment it only shows data for the current month, but we've been recording the data since the ARCHER service began back in 2013 (table below).
Posted: 19 Nov 2015 | 11:11
One of the projects I'm currently leading at EPCC is ExTASY, which is building an 'Extensible Toolkit for Advanced Sampling and analYsis'. I've blogged in the past about the goals of the project, and the painful process leading up to our first public release. As the project is now well into its final year, we are turning our attention to community outreach - showing off what we have built to the biomolecular simulation community and getting their feedback.
Posted: 16 Dec 2014 | 11:27
In 2013, the DiRAC consortium rolled out the DiRAC driving licence, a software skills aptitude test for researchers wanting to use DiRAC's high-performance computing resources. Now ARCHER, the UK National Supercomputing Service, is to roll out an ARCHER driving test.
Despite their similar names, these tests differ in nature, intent, scale and reward. In this post, EPCC's Mike Jackson, Andrew Turner and Clair Barrass compare and contrast these two supercomputer tests.
Posted: 11 Dec 2014 | 12:24
Last week EPCC's ARCHER training team ran another Software Carpentry workshop here in Edinburgh, on 3rd and 4th of December. The workshop provided attendees with an introduction to version control and Git, building programs with Python, automating tasks with Make, and how (and how much) to test programs. These were set within the context of best practices for scientific computing.
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.
Posted: 11 Dec 2013 | 13:08
Posted: 29 Nov 2013 | 11:00
ARCHER (Advanced Research Computing High End Resource) is the next national HPC service for academic research. The service comprises a number of components: accommodation provided by the University of Edinburgh; hardware by Cray; systems support by EPCC and Daresbury Laboratory; and user and computational science and engineering support by EPCC.
Posted: 2 Oct 2013 | 14:07
EPCC is hosting a Software Carpentry boot camp on 3-4 December 2013. The boot camp is designed to teach software development skills to researchers, helping them to do more in less time and with less pain.