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

Éric Germaneau germaneau at zoho.com
Wed Jul 10 00:52:23 CEST 2013

Dear all,

I call cmake the following way and get the error bellow:

    CC=mpicc CXX=mpicxx
       /lustre/utility/bin/cmake \
    -DCMAKE_CXX_COMPILER=/xxx/xxx/intel/impi/ \
    -DCMAKE_C_COMPILER=/xxx/xxx/intel/impi/ \
        -DFFTW_INCLUDE_DIR=$FFTW3DIR/include \
        -DFFTW_LIBRARY=$FFTW3DIR/lib/ \
        -DGMX_MPI=ON \
        -DGMX_X11=OFF ../$APP

    -- Looking for fftwf_plan_r2r_1d in
    /lustre/software/fftw3/fftw-3.3.3_impi/FLOAT/lib/libfftw3f.so - not
    CMake Error at cmake/FindFFTW.cmake:97 (message):
       Could not find fftwf_plan_r2r_1d in
    take a look
       at the error message in
       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
       (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,


/Be the change you wish to see in the world
/ --- Mahatma Gandhi ---

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

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