[CP2K:8103] CP2k 3.0 compile error with mkl and intel mpi

Leopold Talirz leopold... at gmail.com
Fri Sep 1 13:16:11 UTC 2017


Dear all,

I am also having similar problems with undefined references using the 
default Linux-x86-64-intel-mic.psmp arch file distributed with the current 
cp2k development version
  git-svn-id: svn://svn.code.sf.net/p/cp2k/code/trunk@18039 
bac0169d-1eea-4375-b5f6-f89d2ced9994

together with recent versions of the intel compilers & mkl (the following 
are module names on a machine at EPFL)

  1) intel/17.0.2   2) intel-mpi/2017.2.174   3) intel-mkl/2017.2.174


The problem can be solved by moving the linking 
of libmkl_blacs_intelmpi_lp64.a inside the linking group as in the 
attached, modified version of Linux-x86-64-intel-mic.psmp.

Perhaps this should be adapted?

Best wishes,
Leopold
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