You should set the environment variable MKLROOT to /opt/intel/mkl or something like that. Configure requires it in order to locate the mkl_dfti.f90 file, which wasn't needed in v.5.3 because there was no support for DFTI
Paolo On Tue, Sep 13, 2016 at 10:29 AM, Uri Argaman <[email protected]> wrote: > Dear QE users and developers > > I think that the 5.4 version do not work with the intel 2013 mkl libraries > while the 5.3 version works with it. I compile the 5.3 version on our > cluster with 2013 intel libraries: > > Package ID: l_mkl_11.1.2.144 l_ccompxe_2013_sp1.2.144 > l_fcompxe_2013_sp1.2.144 > This package contains: > Intel(R) Math Kernel Library 11.1 Update 2 for Linux* > > It is finished with no problems. When I compile with the exact same > configure the 5.4 version I get the following error: > > fft_scalar.DFTI.f90(20): #error: can't find include file: mkl_dfti.f90 > make[1]: *** [fft_scalar.o] Error 1 > > I note that this file exist in the /opt/intel directory as I write in the > configure: LIBDIRS=/opt/intel. When I compile the 5.4 version on other > machine with newer version of mkl (2015): > > Package ID: l_mkl_11.2.0.090 l_ccompxe_2015.0.090 l_fcompxe_2015.0.090 > l_compxe_2015.0.090 > This package contains: > Intel(R) Math Kernel Library 11.2 for Linux* > > It works. Because of what I write, I believe that there is a problem of > the 5.4 version with the 2013 intel mkl. > I want to ask if there are any way to still working with the 2013 intel > mkl or I must upgrade it? > > Thamk you very much > Uri Argaman > Ben-Gurion University > Israel > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- 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
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