No problems :-) (For the record, the fact that you had to brute-force static libraries in another thread does not fill me with confidence that your compiler is installed correctly. But that is for you to judge! :-)
On Thu, Jul 11, 2013 at 1:11 AM, Éric Germaneau <german...@zoho.com> wrote: > I see. > Thank you. > > > On 07/11/2013 07:08 AM, Mark Abraham wrote: >> >> On Thu, Jul 11, 2013 at 1:02 AM, Éric Germaneau <german...@zoho.com> >> wrote: >>> >>> Yes, as one can see in my first post. >> >> No, because we can't guess whether your icc is 11 or not. If so, you >> have a bunch of stuff that is not required. icc 11 has a magic flag >> for using MKL, which GROMACS will use if given the chance. But I guess >> I wasted my time implementing and documenting it :-) >> >>> One thing is I don't know what libraries I need and in which order. >> >> ... and neither does anybody else who can't see the documentation for >> your system. That's why if you have icc before version 11, the GROMACS >> instructions suggest you look at them! That is the price of using mkl >> before icc-11. >> >> Mark >> >>> Thanks, >>> >>> Eric. >>> >>> >>> On 07/11/2013 06:58 AM, Mark Abraham wrote: >>>> >>>> Are you following the advice here? >>>> >>>> http://www.gromacs.org/Documentation/Installation_Instructions#3.4.2._MKL >>>> >>>> On Thu, Jul 11, 2013 at 12:24 AM, Éric Germaneau <german...@zoho.com> >>>> wrote: >>>>> >>>>> Dear all, >>>>> >>>>> Anyone have successfully built the 4.6.3 release using MKL? >>>>> I keep getting the following error message: >>>>> >>>>> -- Looking for DftiCreateDescriptor - not found >>>>> CMake Error at CMakeLists.txt:1018 (message): >>>>> Linking with MKL was requested, but was not successful. The >>>>> include path >>>>> to mkl.h in MKL_INCLUDE_DIR, and the link libraries in >>>>> >>>>> >>>>> >>>>> MKL_LIBRARIES=/lustre/utility/intel/mkl/lib/intel64/libmkl_intel_thread.so;/lustre/utility/intel/mkl/lib/intel64/libmkl_core.so;/lustre/utility/intel/mkl/lib/intel64/libfftw2xf_double_intel.a;/lustre/utility/intel/mkl/lib/intel64/libmkl_avx2.so;/lustre/utility/intel/mkl/lib/intel64/libmkl_scalapack_lp64.so;/lustre/utility/intel/mkl/lib/intel64/libmkl_intel_lp64.so >>>>> need to match what the MKL documentation says you need for your >>>>> system. >>>>> Use full paths to library files, in the right order, and >>>>> separated >>>>> by >>>>> semicolons. >>>>> >>>>> Here is how I use CMAKE: >>>>> >>>>> CC=mpicc CXX=mpicxx >>>>> CMAKE_PREFIX_PATH=$CUDAPATH/include:$CUDAPATH/lib64:$CUDAPATH/bin >>>>> \ >>>>> /lustre/utility/bin/cmake \ >>>>> -DGMX_FFT_LIBRARY=mkl \ >>>>> >>>>> >>>>> >>>>> -DMKL_LIBRARIES="${MKL}/lib/intel64/libmkl_intel_thread.so;${MKL}/lib/intel64/libmkl_core.so;${MKL}/lib/intel64/libfftw2xf_double_intel.a;${MKL}/lib/intel64/libmkl_avx2.so;${MKL}/lib/intel64/libmkl_scalapack_lp64.so;${MKL}/lib/intel64/libmkl_intel_lp64.so" >>>>> \ >>>>> -DMKL_INCLUDE_DIR="${MKL}/include" \ >>>>> -DGMX_MPI=ON \ >>>>> -DGMX_GPU=OFF [-DCUDA_TOOLKIT_ROOT_DIR=$CUDAPATH] \ >>>>> -DCMAKE_INSTALL_PREFIX=$INSTALL_DIR \ >>>>> -DGMX_X11=OFF ../$APP \ >>>>> -DGMX_THREADS=OFF >>>>> >>>>> Any hints here? >>>>> I thank you in advance, >>>>> >>>>> 'Eric. >>>>> >>>>> -- >>>>> /Be the change you wish to see in the world >>>>> / --- Mahatma Gandhi --- >>>>> >>>>> Éric Germaneau <http://hpc.sjtu.edu.cn/index.htm> >>>>> >>>>> Shanghai Jiao Tong University >>>>> Network & Information Center >>>>> room 205 >>>>> Minhang Campus >>>>> 800 Dongchuan Road >>>>> Shanghai 200240 >>>>> China >>>>> >>>>> View Éric Germaneau's profile on LinkedIn >>>>> <http://cn.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986> >>>>> >>>>> /Please, if possible, don't send me MS Word or PowerPoint attachments >>>>> Why? See: http://www.gnu.org/philosophy/no-word-attachments.html/ >>>>> >>>>> -- >>>>> 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 >>> >>> >>> -- >>> /Be the change you wish to see in the world >>> / --- Mahatma Gandhi --- >>> >>> Éric Germaneau <http://hpc.sjtu.edu.cn/index.htm> >>> >>> Shanghai Jiao Tong University >>> Network & Information Center >>> room 205 >>> Minhang Campus >>> 800 Dongchuan Road >>> Shanghai 200240 >>> China >>> >>> View Éric Germaneau's profile on LinkedIn >>> <http://cn.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986> >>> >>> /Please, if possible, don't send me MS Word or PowerPoint attachments >>> Why? See: http://www.gnu.org/philosophy/no-word-attachments.html/ >>> >>> -- >>> 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 > > > -- > /Be the change you wish to see in the world > / --- Mahatma Gandhi --- > > Éric Germaneau <http://hpc.sjtu.edu.cn/index.htm> > > Shanghai Jiao Tong University > Network & Information Center > room 205 > Minhang Campus > 800 Dongchuan Road > Shanghai 200240 > China > > View Éric Germaneau's profile on LinkedIn > <http://cn.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986> > > /Please, if possible, don't send me MS Word or PowerPoint attachments > Why? See: http://www.gnu.org/philosophy/no-word-attachments.html/ > > -- > 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
