[gpaw-users] Installation question. Lapack and scalapack.

[Gaël Donval]

Hi,
> Hello all,
> 
>      I am trying to install gpaw with scalapack . First, I installed 
> scalapack using python script from scalapack web-site which also 
> automatically installs lapack and blas, tests run OK. So, now I have 
> three files:
> 
>      /home/aleksei/Programs/scalapack/lib/librefblas.a
>      /home/aleksei/Programs/scalapack/lib/libreflapack.a
>      /home/aleksei/Programs/scalapack/lib/libscalapack.a
> 
> In bashrc, I added path:
> 
>      export 
> LD_LIBRARY_PATH="/home/aleksei/Programs/scalapck/lib:$LD_LIBRARY_PATH
> "
> 
> I am installing developing version of gpaw with this command: python 
> setup.py build_ext
> 
> First, when '_gpaw' extension was building it could not find lapack
> and 
> blas, but seems that just renaming of librefblas.a --> libblas.a and 
> libreflapack.a --> liblapack.a helps, but I still have errors like
> this one:

If you want to do anything serious, use an optimised version of
blas/lapack: OpenBLAS and MKL are good options. The difference with
what you are currently using is in speed: those optimised versions are
orderS of magnitude faster than the reference ones.

Also don't rename libraries, instead customise your customize.py file
as needed.

> 
> /home/aleksei/anaconda3/compiler_compat/ld: 
> /home/aleksei/Programs/scalapack/lib/../lib/liblapack.a(zlarf.o): 
> relocation R_X86_64_32 against `.rodata' can not be used when making
> a 
> shared object; recompile with -fPIC
> /home/aleksei/anaconda3/compiler_compat/ld: final link failed: 
> Nonrepresentable section on output
> collect2: error: ld returned 1 exit status
> error: command 'gcc' failed with exit status 1
> 
> Has anybody seen these errors and do you know solution around this?

Did you try to... recompile with -fPIC? :)

Best regards,
Gaël


> 
> Thanks for help and your time!
> 
> Best wishes,
> 
> Aleksei
> 
> 
> 
> 
> 
> 
> 
> 
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