As part of the Extended Software Development Workshop on Scaling Electronic Structure Applications organised by the E-CAM Centre of Excellence at Trinity College Dublin in Ireland from 7 to 18 January 2019, POP was invited to provide training with parallel performance analysis tools and assistance applying them to the attendee's libraries and applications. Workshop participants from around Europe and the US were provided access the JURECA cluster at JSC, where a variety of tools are installed.
Various case studies of POP assessments were presented, including several done for E-CAM and related applications from other Centres of Excellence. A version of the SIESTA molecular dynamics application, a flagship code of the MaX Centre of Excellence, was one which was analysed in the workshop.
-- Brian Wylie (JSC)