On Thu, Dec 19, 2013 at 8:02 AM, Seera Suryanarayana <[email protected]> wrote: > Dear Gromacs users, > > I have successfully installed > > a) cudatoolkit_4.2.9_linux_64_ubuntu11.04.run > b) devdriver_4.2_linux_64_295.41.run > c) gpucomputingsdk_4.2.9_linux.run > d) OpenMM 4.1 from Source > e) GROMACS 4.6.5 > > While trying to install / cmake of mdrun-gpu using the standard procedure > given in GROMACS site, > > export OPENMM_ROOT_DIR=path_to_custom_openmm_installation > > mkdir build_gromacs_gpu > cd build_gromacs_gpu > cmake .. -DGMX_OPENMM=ON [-DCMAKE_INSTALL_PREFIX=desired_install_path] > make mdrun > make install-mdrun > > I have the problem in the cmake step with following error message: > > -- Enabling native GPU acceleration > CMake Error at src/contrib/CMakeLists.txt:49 (message): > The OpenMM build is not compatible with the native GPU build > > > -- Configuring incomplete, errors occurred! > > Should I install a older version of OpenMM like 2.0 or is there any > alternative method to build mdrun-gpu ?
That just means that you need to manually set -DGMX_GPU=OFF to use the OpenMM build (and AFAIR you'll have to do the same for GMX_OPENMP and GMX_THREAD_MPI as well). > Thanks in advance. > -- > 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 [email protected]. -- 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 [email protected].
