On Mon, Aug 6, 2012 at 4:04 PM, ms <deviceran...@gmail.com> wrote: > Hi, > > I am trying to compile Gromacs 4.5.5 with GPU support on Linux. I have > performed the following steps: > > export OPENMM_ROOT_DIR=/home/xxxx/gromacs/OpenMM2.0-Linux64/ > mkdir build-gpu > mkdir exec-gpu > cd build-gpu > cmake ../ -DGMX_OPENMM=ON -DFFTW3F_INCLUDE_DIR=/usr/lib/include > -DFFTW3F_LIBRARIES=/usr/lib/libfftw3f.a -DCMAKE_INSTALL_PREFIX=../exec-gpu > -DGMX_X11=OFF -DGMX_PREFER_STATIC_LIBS=ON -DGMX_DEFAULT_SUFFIX=OFF > -DGMX_BINARY_SUFFIX="_gpu" -DGMX_LIBS_SUFFIX="_gpu" -DGMX_DOUBLE=OFF > -DGMX_MPI=OFF -DLIBXML_INCLUDE_DIR=/usr/lib > > but it fails with: > > -- Using manually set binary suffix: "_gpu" > -- Using manually set library suffix: "_gpu" > -- checking for module 'libxml-2.0' > -- package 'libxml-2.0' not found > -- Could NOT find LibXml2 (missing: LIBXML2_LIBRARIES LIBXML2_INCLUDE_DIR) > CMake Error at cmake/FindCUDA.cmake:465 (message): > Specify CUDA_TOOLKIT_ROOT_DIR > Call Stack (most recent call first): > CMakeLists.txt:434 (find_package) > > For libxml2: I have libxml2.so.2 in /usr/lib > I tried the following: > > - export LIBXML2_INCLUDE_DIR=/usr/lib > - export LIBXML2_LIBRARIES=/usr/lib/libxml2.so.2 > - adding -DLIBXML2_INCLUDE_DIR=/usr/lib > > but it continues to fail. > > About the CUDA_TOOLKIT_ROOT_DIR, I don't know where to find it honestly.
Besides the suggestive name, a simple Google search would have already shown that CUDA_TOOLKIT_ROOT_DIR need to be set to the root directory of the CUDA toolkit installation (by default /usr/local/cuda). Cheers, -- Szilárd > Any hint on how to find a solution? > > Thanks a lot, > Massimo > > -- > Massimo Sandal, Ph.D. > http://devicerandom.org > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Only plain text messages are allowed! > * 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 -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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
