[Pw_forum] running and installing version 6

[Paolo Giannozzi]

I think you need to properly set LIBRARY_PATH, or maybe
LD_LIBRARY_PATH, or maybe both, to the path where shared libraries can
be found. The Intel compiler comes with scripts that set all needed
variables.

Paolo

On Wed, Feb 22, 2017 at 11:54 AM, Helen Eisenberg <helen at fh.huji.ac.il> wrote:
> Dear All,
> I am trying to install and run version 6 on a unix cluster.
> I configure using:
> ./configure --enable-parallel MPIF90=mpiifort --with-scalapack=intel
> LIBDIRS='-L/mnt/opt-linux/intel/Compiler/2016/compilers_and_libraries_2016.1.150/linux/mkl/lib/intel64'
> This is successful. The make all stage is also successful.
> However when I try to run example01, I get an error message
> running the scf calculation for
> Si.../opt/quantum_espresso_6/qe-6.0/bin/pw.x: error while loading shared
> libraries: libmkl_scalapack_lp64.so: cannot open shared object file: No
> such file or directory
> Error condition encountered during test: exit status = 127
>
> I have checked this file is present and even directly linked the
> appropriate library (see above)
>
> We have unix machines [Linux einsteinium80 4.4.0-22-generic #39-Ubuntu
> SMP Thu May 5 16:53:32 UTC 2016 x86_64 x86_64 x86_64 GNU/Linux]
> Does anyone have any advice to overcome this problem?
>
> Thank you very much,
> Dr. Helen Eisenberg,
> Fritz Haber Center for Molecular Dynamics
> Hebrew University of Jerusalem
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222