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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