[gmx-users] OpenSuse 12.1 + CUDA Installation Error

[Carlos Bueno]

*Hi,*
*I keep getting errors when I try to install gromacs in OpenSuse 12.1.*
*I have installed cuda 5.0 and the nvidia cards. **I have tried with
different parameters for cmake:*

>cmake .. -DGMX_BUILD_OWN_FFTW=ON -DGMX_GPU=ON
-DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda
*When I make, this error appears:*
 >make
[ 65%] Building C object
src/gmxlib/CMakeFiles/gmx.dir/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_256_single.c.o
make[2]: *** No hay ninguna regla para construir el objetivo
`//home/cuda/Programas/gromacs-4.6.3/build/src/contrib/fftw/gmxfftw-prefix/lib/libfftw3f.a',
necesario para `src/gmxlib/libgmx.so.8'.  Alto.
 make[1]: *** [src/gmxlib/CMakeFiles/gmx.dir/all] Error 2
make: *** [all] Error 2

*So I decided to compile the fftw library myself with the command:*
./configure --enable-single --enable-shared --enable-sse2 --enable-avx
*
*
*and I think that worked but then this error appears:*

>cmake .. -DGMX_GPU=ON -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda
>make
[ 64%] Building NVCC (Device) object
src/mdlib/nbnxn_cuda/./nbnxn_cuda_generated_nbnxn_cuda.cu.o
/home/cuda3/Programas/gromacs-4.6.3/include/types/nbnxn_pairlist.h(216):
error: identifier "nbnxn_alloc_t" is undefined

/home/cuda3/Programas/gromacs-4.6.3/include/types/nbnxn_pairlist.h(217):
error: identifier "nbnxn_free_t" is undefined

2 errors detected in the compilation of
"/tmp/tmpxft_000076f4_00000000-11_nbnxn_cuda.compute_20.cpp2.i".
CMake Error at CMakeFiles/nbnxn_cuda_generated_nbnxn_cuda.cu.o.cmake:256
(message):
  Error generating file

/home/cuda3/Programas/gromacs-4.6.3/build/src/mdlib/nbnxn_cuda/./nbnxn_cuda_generated_nbnxn_cuda.cu.o


make[2]: *** [src/mdlib/nbnxn_cuda/./nbnxn_cuda_generated_nbnxn_cuda.cu.o]
Error 1
make[1]: *** [src/mdlib/nbnxn_cuda/CMakeFiles/nbnxn_cuda.dir/all] Error 2
make: *** [all] Error 2

*I need to install with cuda, nevertheless I tried without to see if that
would work:*

>cmake ..
>make

Linking CXX shared library libgmx.so
[ 65%] Built target gmx
make: *** [all] Error 2

*And to see if I had not installed the library correctly I tried*

>cmake .. -DGMX_BUILD_OWN_FFTW=ON
>make

[ 65%] Building C object
src/gmxlib/CMakeFiles/gmx.dir/nonbonded/nb_kernel_avx_256_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_256_single.c.o
make[2]: *** No hay ninguna regla para construir el objetivo
`//home/cuda/Programas/gromacs-4.6.3/build/src/contrib/fftw/gmxfftw-prefix/lib/libfftw3f.a',
necesario para `src/gmxlib/libgmx.so.8'.  Alto.
make[1]: *** [src/gmxlib/CMakeFiles/gmx.dir/all] Error 2
make: *** [all] Error 2

*I think the problem is related to the PC's (I have three clones) because I
have installed Gromacs+CUDA in Ubuntu 12.04 without problems.*
*Any suggestions would be very appreciated.*
*Thanks*