31.03.10, 11:43, "Geoffrey Hutchison" <[email protected]>:

> > More accurately, however, I have watched while a compchem syadmin expert 
> > has spent an hour compiling MPQC. This requires the BLAS/LAPACK library 
> > which took him a considerable time to tame - and he's been through this 
> > before. If I'd had to do this myself (and I do know how to make make and 
> > configure in general terms) it would have taken me a week or probably 
> > longer. It was NOT trivial.
>  
>  No offense, but if a "compchem sysadmin expert" has problems with 
> BLAS/LAPACK and has done it before, they're not really an expert. 
>  BLAS/LAPACK (or ATLAS) are easy to install on every Linux workstation or 
> server I have ever used. Indeed, on most compchem Linux machines, it's 
> already installed.

BLAS/LAPACK supplied by CPU vendor (Intel MKL, AMD ACML) are often better. Also 
Goto BLAS written in asm performs well (but hasn't fast LAPACK implementation)

>  
>  http://math-atlas.sourceforge.net/atlas_install/
>  
>  BLAS/LAPACK is pre-installed on every Mac.
>  
>  Which leaves Windows. But most Windows users want pre-packaged binaries, so 
> it's also not a big problem.
>  
>  Cheers,
>  -Geoff
>  
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-- 
Regards,
Konstantin

Яндекс.Почта. Письма есть. Спама - нет. http://mail.yandex.ru/nospam/sign

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