[Pw_forum] running and installing version 6

[Helen Eisenberg]

Thank you,
  I got it working, it was a problem of resourcing the intel compilers 
on the individual nodes
Helen

On 2/22/2017 1:54 PM, Paolo Giannozzi wrote:
> 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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>
>