BEGIN:VCALENDAR VERSION:2.0 PRODID:Linklings LLC BEGIN:VTIMEZONE TZID:Europe/Stockholm X-LIC-LOCATION:Europe/Stockholm BEGIN:DAYLIGHT TZOFFSETFROM:+0100 TZOFFSETTO:+0200 TZNAME:CEST DTSTART:19700308T020000 RRULE:FREQ=YEARLY;BYMONTH=3;BYDAY=-1SU END:DAYLIGHT BEGIN:STANDARD TZOFFSETFROM:+0200 TZOFFSETTO:+0100 TZNAME:CET DTSTART:19701101T020000 RRULE:FREQ=YEARLY;BYMONTH=10;BYDAY=-1SU END:STANDARD END:VTIMEZONE BEGIN:VEVENT DTSTAMP:20190719T085744Z LOCATION:HG EO Nord DTSTART;TZID=Europe/Stockholm:20190613T195000 DTEND;TZID=Europe/Stockholm:20190613T215000 UID:submissions.pasc-conference.org_PASC19_sess179_post119@linklings.com SUMMARY:CSM05 - A Spherical Harmonic Oscillator Basis for Reduced Ban dwidth Requirements DESCRIPTION:Poster\n\n\nCSM05 - A Spherical Harmonic Oscillator Basis  ;for Reduced Bandwidth Requirements\n\nBaumeister\n\nLarge scale electroni c structure calculations require modern HPC resources and, as importa nt, mature HPC applications that can make efficient use of those. Rea l-space grid-based applications of Density Functional Theory using th e Projector Augmented Wave method can give the same accuracy as  DFT codes relying on a plane wave basis set but exhibit an improved s calability on distributed memory machines. The projection operations of the PAW Hamiltonian are known to be the most performance critical part due to their limitation by the available memory bandwidth.  We investigate on the usability of a 3D factorizable basis of Hermite func tions for the atomic PAW projector functions that allows to reduce an d nearly to remove the bandwidth requirements for the grid representa tion of the projector functions in projection operations. This i ncreases the fraction of exploitable floating-point operations on mod ern vectorized many-core architectures, like GPUs, by raising the ari thmetic intensity of such operations. END:VEVENT END:VCALENDAR