[Pw_forum] running and installing version 6

Helen Eisenberg helen at fh.huji.ac.il
Wed Feb 22 11:54:44 CET 2017


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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