[gmx-users] fftw compile error for 4.6.2

[Albert]

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