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. 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