MaX Hackathon: Domain Specific Libraries for Material Modelling

30 Nov , 2019 - Seminars,Talks & Seminars

MaX Hackathon: Domain Specific Libraries for Material Modelling

Trieste (Italy), 2019, 25-29 November

The hackathon meeting is meant to update the Max community of developers to the state of the art implementations and future road-maps of the Max libraries.

Three working groups were established for effective sessions of collaborative hands-on development on (i) the MaX LAXlib library, (ii) the porting of the flagship codes on the next generations of heterogeneous accelerated system for high-end computing (mostly hacking the MaX devicexlib library) and (iii) the advancement of the development of Yambo flagship code. In particular, the first group worked to define a set of common interfaces such that the MaX flagship codes can include abstract common calls to subroutines that implements highly optimized eigensolvers for distributed systems. The second group was established to define common interfaces to abstract the data management for the cases when codes run on compute nodes equipped with different physical memories, like in the case of heterogeneous systems, and the data movement between those memories requires specific attention for high performance. This activity becomes particularly relevant to keep the flagship codes development clean also when such codes are in FORTRAN and specific interfaces for memory data management require C pointers and/or C++ references. Finally, the third group undertook several development tasks related to the Yambo code with particular attention to Python tools and modules as well as the interface of the Yambo code with the MaX SpFFT library.

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