[Pw_forum] AMD Core Math Library & PWSCF

[Konstantin Kudin]

--- 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
> AMD
> > 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
important!!!):

AMDLIB1=
/home/software/common/acml1.5/gnu32_nosse2/lib/libacml.a
AMDLIB = /home/software/32bit/atlas/libf77blas.a
/home/software/32bit/atlas/liblapack.a
/home/software/32bit/atlas/libcblas.a
/home/software/32bit/atlas/libatlas.a $(AMDLIB1)

LIBS= $(FFTW_LIB) $(AMDLIB)
/usr/lib/gcc-lib/i386-redhat-linux/3.2.2/libg2c.a

 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
code-wise.
PWSCF 1.3.0, on the other hand, compiles fine with the
flags:
-Vaxlib -O2 -tpp6 -Zp8 -axK -xK -ftz -ipo -ipo_obj

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

 Regards,
 Kostya

__________________________________
Do you Yahoo!?
Yahoo! Hotjobs: Enter the "Signing Bonus" Sweepstakes
http://hotjobs.sweepstakes.yahoo.com/signingbonus