On Tue, Aug 9, 2016 at 2:06 PM, Atila Petrosian <atila.petros...@gmail.com> wrote: > Dear gromacs users, > > I am installing gromacs in my system. My computational system is Rocks > 6.1.1. > > I encountered with following: > > [root@me build]# cmake .. -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=ON -DGMX_GPU=ON > > -- The C compiler identification is GNU 4.4.7 > -- The CXX compiler identification is GNU 4.4.7 > -- Check for working C compiler: /usr/bin/cc > -- Check for working C compiler: /usr/bin/cc -- works > -- Detecting C compiler ABI info > -- Detecting C compiler ABI info - done > -- Detecting C compile features > -- Detecting C compile features - done > -- Check for working CXX compiler: /usr/bin/c++ > -- Check for working CXX compiler: /usr/bin/c++ -- works > -- Detecting CXX compiler ABI info > -- Detecting CXX compiler ABI info - done > -- Detecting CXX compile features > -- Detecting CXX compile features - done > -- Looking for NVIDIA GPUs present in the system > -- Number of NVIDIA GPUs detected: 1 > CUDA_TOOLKIT_ROOT_DIR not found or specified > -- Could NOT find CUDA (missing: CUDA_TOOLKIT_ROOT_DIR > CUDA_NVCC_EXECUTABLE CUDA_INCLUDE_DIRS CUDA_CUDART_LIBRARY) (Required is at > least version "4.0")
^^^ There's the issue. You need to tell the build system where CUDA is, e.g. by setting the CUDA_TOOLKIT_ROOT_DIR environment variable. -- Szilárd > CMake Error at cmake/gmxManageGPU.cmake:153 (message): > mdrun supports native GPU acceleration on NVIDIA hardware with compute > capability >= 2.0 (Fermi or later). This requires the NVIDIA CUDA > toolkit, > which was not found. Its location can be hinted by setting the > CUDA_TOOLKIT_ROOT_DIR CMake option (does not work as an environment > variable). The typical location would be /usr/local/cuda[-version]. Note > that CPU or GPU acceleration can be selected at runtime. > > 1 NVIDIA GPU(s) found in the system: > > GeForce GTX 480 > > Compute capability information not available, consult the NVIDIA website: > > https://developer.nvidia.com/cuda-gpus > Call Stack (most recent call first): > CMakeLists.txt:185 (include) > > -- Configuring incomplete, errors occurred! > See also "/home/host/nasb/gromacs-5.1.1/build/CMakeFiles/CMakeOutput.log". > > I am beginner in the installation of gromacs as parallel and on GPU. > > Please guide me to solve this problem. > > Best, > Atila > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a > mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.