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SUMMARY:Performance and scaling improvements for CASTEP - Research Softwar
 e Engineering\, University of Cambridge
DTSTART:20190213T130000Z
DTEND:20190213T140000Z
UID:TALK119521@talks.cam.ac.uk
CONTACT:Jeffrey Salmond
DESCRIPTION:Castep is one of the leading simulation codes for ab-initio ca
 lculation of material properties. In this talk\, I discuss several project
 s that have aimed to improve the performance of CASTEP across several arch
 itectures. In particular I will talk about improving the scaling capabilit
 y of CASTEP on traditional HPC hardware\, the development of a prototype G
 PU port using OpenACC\, and improving vectorisability of the code for mode
 rn and upcoming CPU architectures. We aim to give both a general overview 
 of the technologies and techniques used and the specific implementation in
  CASTEP.
LOCATION:JJ Thomson Seminar Room\, Maxwell Centre\, Cavendish Laboratory
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