[Pw_forum] How to convince QE from local lapack/blas?

Guntram Schmidt guntram.schmidt at chemie.uni-halle.de
Fri Jul 22 16:40:20 CEST 2011


Dear Paolo,

>> FCFLAGS="-qfree=f90 -C -g -qnosmp"
>
> options -C -g and no optimization? You have a big cpu grant.

As I already wrote, I have no idea on these parameters, they are copied 
from various sources to get the compilation working without any errors...
Do you refer to cpu-usage when executing make or cpu-usage of the 
compiled quantum espresso?

>> Or is the priority the other way round?
>
> it is: libraries are loaded in the order they are listed

But this would mean, in
-L/gpfs/usrurz/lib64 -llapack 
/gpfs/home/aasfu/espresso-4.3.1/lapack-3.2/lapack.a
all (optimized) functions from /gpfs/usrurz/lib64/llapack.a would be 
overwritten by the functions from espresso/lapack?
Or is the implementation, that existing functions are not 
overwritten/redefined?

>> Also I wonder, why BLAS_LIBS is empty
>
> BLAS (and part of LAPACK) are contained in essl. ON IBM machines
> you should use essl as much as you can

What does this mean? That an empty BLAS_LIBS is fine?
Where/How can I suggest more usage of essl?

Thanks a lot,
Guntram



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