Re: libacml.a
On Friday 30 June 2006 11:57, Giacomo Mulas wrote:
> On Fri, 30 Jun 2006, Francesco Pietra wrote:
> > Configure (amd64 debian etch dual opteron, installed g77 and gcc)
> > requests (among other libs that I have found)
> >
> > libacml.a (the amd core math lib)
> >
> > #apt-file search libacml*
> >
> > is not informative.
> >
> > Is that necessasy (64bit) lib available from debian or should I install a
> > different Fortran compiler?
>
> ACML is an optimised, proprietary math library by AMD, and is available
> free of charge from their web site.
The program (Dalton, which is as free as mpqc is free) requests libacml.a. To
avoid overcomplications, I would be happy to have that. Could you suggest the
easiest way to get it as requested by configure to compile Dalton for amd64
debian etch? Remember that I have limited skills with these affairs, where I
duell sporadically: once the program works, I have little time for playing
around (unfortunately).
> By the way, since you are apparently
> doing heavy linear algebra calculations, you may want to check also the
> GOTO library (I don't remember the URL, google for GOTO blas lapack library
> and you will find it). It's a hand-tuned linear algebra library which can
> give an appreciable boost, especially on opterons.
>
> Have fun, and please keep me informed on your progress with mpqc: I do
> heavy quantum chemical calculations myself, although I currently mostly
> (ab)use NWChem and Gaussian, and I'm interested in comparing that with mpqc
> (I never tried it yet).
>
> Bye
> Giacomo
>
> --
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>
> Giacomo Mulas <gmulas@ca.astro.it>
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