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<[email protected]> 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 >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum > > _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
