Please note: This course takes place in Daresbury.
Full details and registration on the STFC Course page
This workshop will interest you if you are an advanced user of ab initio periodic codes on high performance computers (HPC), and 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.
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.
Posters: Please bring a poster, both as a focus for discussion and as a mean to share your work with other participants.
Costs: Attendees will need to cover their own costs for travel, accommodation and evening meals. No bursaries are available for the event. The organisers will sponsor the refreshments during the conference and transport to and from the official event hotel (the Mercure Chester) to the Laboratory plus a conference dinner in Chester on Thursday 21 January.
Start Date: Tuesday, 19th January 2016
End Date: Friday, 22nd January 2016
Fee Info: Registration for this workshop is FREE. Refreshments and lunches will be provided during the workshop. There will also be a free shuttle service from the official workshop hotel in Chester to the Laboratory each day. Accommodation is NOT included and must be booked seperately if required.