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SUMMARY:Linear scaling algorithms: applicability\, accuracy and scalable i
 mplementation - Vincent Sacksteder (Asia Pacific Center for Theoretical Ph
 ysics)
DTSTART:20081210T100000Z
DTEND:20081210T104000Z
UID:TALK15312@talks.cam.ac.uk
CONTACT:Neil Drummond
DESCRIPTION:Linear scaling algorithms are already delivering on their prom
 ise for large scale electronic structure calculations on parallel computer
 s\, but their accuracy\, justification\, and limits are not fully understo
 od. Mathematically speaking these algorithms are fast approximations to th
 e density matrix\, while physically speaking they are implementations of t
 he idea called _nearsightedness_.   In this talk I argue that linear scali
 ng algorithms should be useful for calculating a much wider range of matri
 ces occurring in fields ranging from nuclear physics to engineering.  I al
 so present numerical evidence that linear scaling algorithms can be expone
 ntially accurate even in metals as long as there is some disorder. Lastly 
 I discuss the enormous difference between having a scalable algorithm and 
 having an implementation which scales to the largest supercomputers\, and 
 propose a general purpose linear scaling library for calculating matrices 
 on the largest supercomputers.\n\n"Download\nslides":http://www.tcm.phy.ca
 m.ac.uk/~ndd21/ESDG_slides/sacksteder101208.ppt\n(PPT)
LOCATION:TCM Seminar Room\, Cavendish Laboratory
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