On Thu, Jul 4, 2013 at 10:31 AM, Mark Abraham <mark.j.abra...@gmail.com> wrote: > On Thu, Jul 4, 2013 at 9:09 AM, Albert <mailmd2...@gmail.com> wrote: >> Hello: >> >> I am trying to compile Gromacs-4.6.2 for a GPU cluster with following >> command: >> >> >> CC=icc FC=ifort F77=ifort CXX=icpc >> CMAKE_PREFIX_PATH=/export/intel/cmkl/include/fftw
Now that I look at it, the above is a bad idea. You're trying to use FFTW, but directing CMake to look for things in the MKL wrapper of the FFTW interface implemented as MKL. That can't be right. Mark >>:/export/mpi/mvapich2.amd/1.4 >> cmake .. -DGMX_MPI=ON -DCMAKE_INSTALL_PREFIX=/home/albert/install/gromacs >> -DGMX_GPU=ON -DBUILD_SHARED_LIBS=OFF -DCUDA_TOOLKIT_ROOT_DIR=/export/cuda5.0 >> -DFFTWF_LIBRARY= /export/fftw-3.3.3 > > You've supplied a path to the parent directory, but FFTWF_LIBRARY > needs the library itself, as the TryCompile error below says. Use > CMAKE_PREFIX_PATH=/export/intel/cmkl/include/fftw:/export/mpi/mvapich2.amd/1.4:/export/fftw-3.3.3 > or something. > >> but it always claimed errors for fftw: >> >> >> >> -- Found PkgConfig: /usr/bin/pkg-config (found version "0.21") >> -- checking for module 'fftw3f' >> -- package 'fftw3f' not found >> -- pkg-config could not detect fftw3f, trying generic detection >> -- Looking for fftwf_plan_r2r_1d in /export/fftw-3.3.3/lib >> WARNING: Target "cmTryCompileExec1612346837" requests linking to directory >> "/export/fftw-3.3.3/lib". Targets may link only to libraries. CMake is >> dropping the item. >> -- Looking for fftwf_plan_r2r_1d in /export/fftw-3.3.3/lib - not found >> CMake Error at cmake/FindFFTW.cmake:97 (message): >> Could not find fftwf_plan_r2r_1d in /export/fftw-3.3.3/lib, take a look at >> the error message in >> /home/albert/install/gromacs-4.6.2/build/CMakeFiles/CMakeError.log to find >> out what went wrong. If you are using a static lib (.a) make sure you >> have >> specified all dependencies of fftw3f in FFTWF_LIBRARY by hand (e.g. >> -DFFTWF_LIBRARY='/path/to/libfftw3f.so;/path/to/libm.so') ! >> Call Stack (most recent call first): >> CMakeLists.txt:943 (find_package) >> >> >> -- Configuring incomplete, errors occurred! >> >> >> I compiled fftw with options: >> >> ./configure CC=icc CXX=icpc F77=ifort FC=ifort >> --prefix=/home/albert/install/fftw-3.3.3 --enable-float --with-pic >> --enable-single --enable-static --enable-mpi >> >> and I don't find so called "libfftw3f.so" in the fftw installation >> directory. > > That example doesn't quite suit its context, sorry! libfftw3f.a is the > relevant file for a static FFTW, but if you set up CMAKE_PREFIX_PATH > properly you Do Not Need To Know. This is why the install instructions > no longer mention things like FFTWF_LIBRARY. > > Mark > >> >> does anybody have any advices? >> >> THX >> >> Albert >> >> -- >> 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
