[gmx-users] Any chance to get mkl linked in 4.6.3 by any wizardry? (Linux/Intel64)

[Mirco Wahab]

I read the report (http://redmine.gromacs.org/issues/1110)
and tried some combinations. This was my last failing
attempt:


- - - 8< - - - - - - - - - - - - - - - - - - - - - - - - - -
#!/bin/sh
export GMXVERSION=gromacs-4.6.3
export GMXTARGET=/opt/gromacs463

MINC=/opt/intel/mkl/include
MLIB=/opt/intel/mkl/lib/intel64
ILIB=/opt/intel/composerxe/lib/intel64
#
cmake ../${GMXVERSION} \
 
-DGMX_FFT_LIBRARY=mkl"-DMKL_LIBRARIES=${MLIB}/libmkl_intel_ilp64.so;${MLIB}/libmkl_core.so;${MLIB}/libmkl_intel_thread.so;${ILIB}/libiomp5.so" 
\
        -DCMAKE_CXX_COMPILER=icpc            \
        -DCMAKE_C_COMPILER=icc               \
        -DMKL_INCLUDE_DIR=${MINC}            \
        -DCMAKE_INSTALL_PREFIX=${GMXTARGET}  \
        -DGMX_X11=OFF

- - - - >8 - - - - - - - - - - - - - - - - - - - - - - - - - -

ICC version is 13.1.1 (with mkl included).

4.6.2 worked. Does anybody have a spell for 4.6.3?

Thanks & regards

M.