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:/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
