[gmx-users] Re: gInstallation Problems with Gromacs4.6

[Éric Germaneau]

I figured out by using static libraries.

On 07/10/2013 06:52 AM, Éric Germaneau wrote:
> Dear all,
>
> I call cmake the following way and get the error bellow:
>
>    CC=mpicc CXX=mpicxx
> CMAKE_PREFIX_PATH=$FFTW3DIR:$CUDAPATH/include:$CUDAPATH/lib64:$CUDAPATH/bin
>    \
>       /lustre/utility/bin/cmake \
> -DCMAKE_CXX_COMPILER=/xxx/xxx/intel/impi/4.1.1.036/intel64/bin/mpicxx \
> -DCMAKE_C_COMPILER=/xxx/xxx/intel/impi/4.1.1.036/intel64/bin/mpicc \
>        -DFFTW_INCLUDE_DIR=$FFTW3DIR/include \
>        -DFFTW_LIBRARY=$FFTW3DIR/lib/ \
>        -DGMX_MPI=ON \
>        -DGMX_GPU=OFF [-DCUDA_TOOLKIT_ROOT_DIR=$CUDAPATH] \
>        -DCMAKE_INSTALL_PREFIX=$INSTALL_DIR \
>        -DGMX_X11=OFF ../$APP
>
>    -- Looking for fftwf_plan_r2r_1d in
>    /lustre/software/fftw3/fftw-3.3.3_impi/FLOAT/lib/libfftw3f.so - not
>    found
>    CMake Error at cmake/FindFFTW.cmake:97 (message):
>       Could not find fftwf_plan_r2r_1d in
> /lustre/software/fftw3/fftw-3.3.3_impi/FLOAT/lib/libfftw3f.so,
>    take a look
>       at the error message in
> /lustre/home/hpceric/soft/science/opensource/gromacs/build-4.6.3/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:948 (find_package)
>
> Can you please shed some light on this?
> Thanks in advance,
>
>                 'Eric.
>

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/ --- Mahatma Gandhi ---

Éric Germaneau <http://hpc.sjtu.edu.cn/index.htm>

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