On Thu, Jul 4, 2013 at 10:43 AM, Oliver Schillinger <o.rus...@fz-juelich.de> wrote: > It seems that GROMACS is looking for a shared library, but you compiled FFTW > statically (--enable-static). Either recompile FFTW --enable-shared or link > GROMACS statically by passing -DBUILD_SHARED_LIBS=OFF to cmake.
The FindFFTW.cmake package used by GROMACS will find whatever is in the search path it's been given. The "helpful" example is wrong in this case. Mark > On our cluster I had problems compiling the MPI version of GROMACS with > dynamic libraries. It did not work out of the box, google did not help much > and out of frustration I ended up using static libraries. I remember having > a similar error message as yours: fftwf_plan_r2r_1d not found, but I could > verify that this function was present in the symbol table of the shared fftw > library. So I think it is a bug. > Note: Static linking makes you GROMACS installation about 10 times as big. > > Regards, > Oliver > > > > On 07/04/2013 09:09 AM, Albert 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 >> >> 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. >> >> does anybody have any advices? >> >> THX >> >> Albert >> > > -- > Oliver Schillinger > Master's student > > Forschungszentrum Juelich GmbH > 52425 Juelich | Germany > > Building 5.8v, Room 3010 > Phone: 02461-61-9532 > > Eingetragen im Handelsregister des Amtsgerichts Dueren Nr. HR B 3498 > Vorsitzender des Aufsichtsrats: MinDir Dr. Karl Eugen Huthmacher > Geschaeftsfuehrung: Prof. Dr. Achim Bachem (Vorsitzender), > Karsten Beneke (stellv. Vorsitzender), Prof. Dr.-Ing. Harald Bolt, > Prof. Dr. Sebastian M. Schmidt > > -- > 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
