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

Aleksei alekcey92 at inbox.ru
Wed Nov 15 19:33:22 CET 2017


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:

/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?

Thanks for help and your time!

Best wishes,

Aleksei










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