[gmx-users] fftw compile error for 4.6.2

[Mark Abraham]

On Thu, Jul 4, 2013 at 9:09 AM, Albert <mailmd2011 at 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
>
> --
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