[Pw_forum] 2013 intel mkl library seems not to work with the 5.4 version of QE

Uri Argaman argamanu at post.bgu.ac.il
Tue Sep 13 10:29:04 CEST 2016


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
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