[Pw_forum] AMD Core Math Library & PWSCF

Konstantin Kudin konstantin_kudin at yahoo.com
Mon Jan 19 19:27:50 CET 2004

--- Paolo Giannozzi <giannozz at nest.sns.it> wrote:
> On Sunday 18 January 2004 01:31, Konstantin Kudin
> wrote:
> >  I thought I'd share how to link PWSCF with the
> > Core Math Library (ACML).
> thank you!

 Actually, I found out that ACML is kind of slow. It
is much better to use ATLAS, and then ACML for the
missing routines. Here is the linking order (it is

AMDLIB = /home/software/32bit/atlas/libf77blas.a
/home/software/32bit/atlas/libatlas.a $(AMDLIB1)


 So, 1st it uses blas and lapack from ATLAS, and if
something is not found, it gets pulled from ACML. The
code works, I checked. Usually, ATLAS provides the
first 4 libraries in the above list. Also,
gnu32/lib/libacml.so crashes on my Opteron, so I am
using gnu32_nosse2.

> >  For ifc 8.0
> 8.0 ? I tried it and got a bunch of "Compiler
> Internal Error" !

 Perhaps you're using flags which are too fancy. A
recent CVS pull gave a bunch of errors for things like
.times. So something is not compatible there
PWSCF 1.3.0, on the other hand, compiles fine with the
-Vaxlib -O2 -tpp6 -Zp8 -axK -xK -ftz -ipo -ipo_obj

 Also, -tpp7 and -xW (and -O3) can work but is slower
on Opteron.


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