Following a previous edition in 2016, this workshop is aimed at existing users of periodic codes on high performance compute (HPC) services who wish 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 UK National Supercomputing Service under the supervision of different periodic codes representatives. Codes represented at the workshop are: ABINIT, BIGDFT, CASTEP, CP2K, CRYSTAL, FHIaims and ONETEP. 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, the Collaborative Computational Project for the Study of the Electronic Structure of Condensed Matter (CCP9), 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 (or Cirrus). Please provide your ARCHER (or Cirrus) username. Priority will be given to groups affiliated with CCP9, MCC or UKCP. If you are not a member yourself, please provide the name of a consortium member you are associated with.