[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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