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SUMMARY:GPAW optimisations
DTSTART;VALUE=DATE-TIME:20121018T134500Z
DTEND;VALUE=DATE-TIME:20121018T150000Z
DTSTAMP;VALUE=DATE-TIME:20261011T031916Z
UID:indico-contribution-178@indico.ipb.ac.rs
DESCRIPTION:Speakers: Petar Jovanovic (Scientific Computing Laboratory\, I
 nstitute of Physics Belgrade)\nGPAW software package implements efficient 
 calculation of electronic structure of materials\, based on the density fu
 nctional theory and projector-augmented wave method. This C/Python code us
 es real-space formalism that allows flexible boundary conditions and effic
 ient parallelization. Here we present results of the optimization of GPAW 
 hybrid code (OpenMP and MPI). OpenMP performance traps are identified and 
 discussed\, as well as general performance gains and tradeoffs between pur
 e message passing and hybrid code.\n\nhttps://events.saifa.rs/event/291/co
 ntributions/178/
LOCATION:National Library of Serbia
URL:https://events.saifa.rs/event/291/contributions/178/
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