CP2K

1st Annual CP2K UK users' meeting

Author: Iain Bethune
Posted: 6 Feb 2014 | 09:50

Last week we held the first in a series of annual meetings for the CP2K user community at the University of London Garden Halls.

I blogged about it in the run-up to the meeting, but as with any first until you're there you don't know quite what to expect. I was very pleased to see over 50 attendees on the day, ranging from new PhD students to professors, and expert CP2K users to complete novices.

CP2K user meeting: overcoming the 'complexity hump'

Author: Iain Bethune
Posted: 18 Nov 2013 | 10:20

For the last five years, I've been involved in the development of the CP2K materials science code, mostly in terms of improving its performance and scalability and porting to new systems. During that time a great deal of new functionality has been added, as well as additional input file options, libraries and autotuning capability to enable maximum performance on any given architecture. However, these improvements have come at the cost of increased complexity - and CP2K already has a fearsome reputation among researchers for being very hard to use!

Summer of HPC students @ EPCC: end-of-project videos

Author: Irina Nazarova
Posted: 30 Aug 2013 | 09:04

The first PRACE Summer of HPC (SoHPC) programme has now finished. Each of the 4 students hosted by EPCC has made a short video about their project, which you can watch below. You can also read about the students in my earlier post.

CP2K-UK: Now recruiting!

Author: Iain Bethune
Posted: 20 Jun 2013 | 13:48

'CP2K-UK' is a new project starting shortly at EPCC, aiming to nurture the growth of a self-sustaining user and developer community around the CP2K materials science code here in the UK. I have been working on CP2K for nearly 5 years now thanks to a series of HECToR dCSE and PRACE projects, so it is great to get a chance to work on some of the more fundamental issues around usability and sustainability of the code, thanks to success in the EPSRC 'Software for the Future' call.

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