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SUMMARY:SCL Quantum Espresso Extensions
DTSTART;VALUE=DATE-TIME:20121017T133000Z
DTEND;VALUE=DATE-TIME:20121017T140000Z
DTSTAMP;VALUE=DATE-TIME:20261011T134247Z
UID:indico-contribution-180@indico.ipb.ac.rs
DESCRIPTION:Speakers: Dusan Stankovic (Scientific Computing Laboratory\, I
 nstitute of Physics Belgrade)\nQuantum Espresso (QE) software package allo
 ws electronic-structure calculations and materials modeling at the nanosca
 le\, based on density-functional theory\, plane waves\, and pseudopotentia
 ls. It extensively uses Fast Fourier Transform (FFT) during all computatio
 ns. In addition to the built in FFT libraries\, QE enables integration of 
 newly developed FFT algorithms. Since Fastest Fourier Transform of the Eas
 t (FFTE) library has shown performance comparable with the widely used and
  vendor-supplied libraries\, the same behavior is foreseen in QE. In this 
 paper we present FFTE-enabled and thread-enabled FFTW3 extensions of QE\, 
 together with benchmarking and performance results.\n\nhttps://events.saif
 a.rs/event/291/contributions/180/
LOCATION:National Library of Serbia
URL:https://events.saifa.rs/event/291/contributions/180/
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