*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* -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
