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SUMMARY:Quantum Espresso: A high-performance GPU simulation code - Filippo
  Spiga
DTSTART:20180620T120000Z
DTEND:20180620T130000Z
UID:TALK106231@talks.cam.ac.uk
CONTACT:Jeffrey Salmond
DESCRIPTION:Quantum ESPRESSO (QE) is an integrated suite of Open-Source co
 mputer codes for electronic-structure calculations and materials modeling 
 at the nanoscale\, based on density-functional theory. Filippo Spiga is a 
 long-time contributor to the project and led the effort to port a version 
 of QE to GPU architectures. The first GPU porting was done in CUDA C back 
 in 2012\, and a new version based on CUDA Fortran and CUF kernel was devel
 oped and released at SC17. The talk will also review how the porting is do
 ne\, various tricks to integrate in the same code base both the CPU and th
 e GPU code path\, integration with libraries and the use of peer-to-peer G
 PU-GPU communication. Filippo will also present how QE is developed\, buil
 t and tested and focus on how QE has been architected for high performance
  on a variety of HPC architectures. Results running on CSD3 will be presen
 ted\, best practices are widely applicable to many GPU accelerated codes i
 n many different domains.\n
LOCATION:Maxwell Centre\, Rayleigh Seminar Room
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