[gmx-users] fftw compile error for 4.6.2

[Mark Abraham]

No idea. I do not think there is any need for you to use
BUILD_SHARED_LIBS=OFF, and it could well be the problem.

Mark

On Thu, Jul 4, 2013 at 11:07 AM, Albert <mailmd2011 at gmail.com> wrote:
> On 07/04/2013 10:43 AM, Oliver Schillinger 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.
>
>
>
> Hello guys:
>
>  thanks a lot for such warning advices. the fftw error passed after I take
> above suggestions, but there is something wrong with CUDA. It is very
> strange to me, because I've already specified the cuda path.
>
> 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=/home/albert/install/fftw-3.3.3/lib/libfftw3f.so
> -DBUILD_SHARED_LIBS=OFF
>
>
> CMake Error: The following variables are used in this project, but they are
> set to NOTFOUND.
> Please set them or make sure they are set and tested correctly in the CMake
> files:
> CUDA_CUDART_LIBRARY (ADVANCED)
>     linked by target "cuda_tools" in directory
> /home/albert/install/source/gromacs-4.6.2/src/gmxlib/cuda_tools
>     linked by target "gpu_utils" in directory
> /home/albert/install/source/gromacs-4.6.2/src/gmxlib/gpu_utils
>     linked by target "nbnxn_cuda" in directory
> /home/albert/install/source/gromacs-4.6.2/src/mdlib/nbnxn_cuda
> CUDA_TOOLKIT_INCLUDE (ADVANCED)
>    used as include directory in directory
> /home/albert/install/source/gromacs-4.6.2/src/gmxlib/cuda_tools
>    used as include directory in directory
> /home/albert/install/source/gromacs-4.6.2/src/gmxlib/gpu_utils
>    used as include directory in directory
> /home/albert/install/source/gromacs-4.6.2/src/gmxlib/gpu_utils
>    used as include directory in directory
> /home/albert/install/source/gromacs-4.6.2/src/mdlib/nbnxn_cuda
>
> --
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