[Beowulf] Uses of DGEMM

Herbert Fruchtl herbert.fruchtl at st-andrews.ac.uk
Fri Oct 26 20:44:10 EDT 2007


>
> Being a programmer and not a scientist I was wondering if anyone could
> tell me where they have seen the DGEMM routine being used except for
> benchmarking puposes.
>
Pretty much any quantum chemistry program worth its salt will heavily use dgemm.
When I worked for a major hardware vendor, I had to port and tune several
programs from this area, and the first and simplest way to get some performance
usually was:
- Formulate the algorithms in terms of BLAS (if the authors haven't done this
already; usually they have).
- Use the highest level BLAS that works (ideally that's level 3, and therefore
dgemm).
- Find the fastest BLAS for your machine and plug it in.

  Herbert

-- 
Herbert Fruchtl
EaStCHEM Fellow
School of Chemistry
University of St Andrews


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