[Pw_forum] errors when running examples

[Konstantin Kudin]

--- Sergei Lisenkov <proffess at yandex.ru> wrote:

>  Aso Kenn said, Atlas library does not contain full lapack library.
> But I would like present my small expirience using
> atlas/acml/mkl/goto library on Athlon machine.
> 
> I performed a small test of example3. I got that faster pw code is
> code linked with atlas and acml library (gnu32_nosse2).

 Certain versions of the ACML library crash PWSCF, such as for example
GCC version with SSE2. Tracking down such crashes is hopeless. I
resorted to using the version {_nosse2}. This one appears to be stable.
On a side note, ACML is not fast compared to Atlas, so it makes sense
only to use it for the routines missing in Atlas.

 For those who want to use atlas+ACML, below is the sequence of the
libraries that works well:

-lfftw 
/home/software/32bit/atlas/libf77blas.a
/home/software/32bit/atlas/liblapack.a
/home/software/32bit/atlas/libcblas.a
/home/software/32bit/atlas/libatlas.a
/home/software/32bit/acml/gnu32_nosse2/lib/libacml.a
/usr/lib/libg2c.so.0

(substitute paths for the correct ones on your machine)

 Kostya

--- Sergei Lisenkov <proffess at yandex.ru> wrote:

> Dear Glenn,
> 
>  Aso Kenn said, Atlas library does not contain full lapack library.
> But I would like present my small expirience using
> atlas/acml/mkl/goto library on Athlon machine.
> 
> I performed a small test of example3. I got that faster pw code is
> code linked with atlas and acml library (gnu32_nosse2). It is well
> explained at the manual. But I found a more faster case with goto
> blas library (for athlon I used p3 code) and acml library. For this
> small example (it tooks from 2 to 3 minutes on my machine) the code
> finished faster (around 11 seconds). So, acml library works.
> 
> Good luck,
>  Best wishes,
>    Sergey
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
> 



		
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