What doesn't work about the install guide instructions: 'Using MKL with icc 11 or higher is very simple. Set up your compiler environment correctly, perhaps with a command like source /path/to/compilervars.sh intel64 (or consult your local documentation). Then set -DGMX_FFT_LIBRARY=mkl when you run CMake.'
Mark On Thu, Jul 25, 2013 at 12:08 PM, Mirco Wahab <mirco.wa...@chemie.tu-freiberg.de> wrote: > 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. > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the www > interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
