Have you installed the CUDA Toolkit 4.0 ? I have never tried, just guessed.
lina On Mon, Apr 25, 2011 at 9:17 AM, Claus Valka <[email protected]> wrote: > Hello, > > I'm interested in knowing the level of development about gromacs supporting > the opencl framework language. > > I have read the manual about gromacs 4.5.4 that says that opencl is going > to be supported in future versions. Yet, in the openmm website, > the new version of openmm (3.0 that is) is supposed to support both cuda > and opencl framework alongside gromacs: > (https://simtk.org/project/xml/downloads.xml?group_id=161) > "The current release of OpenMM and OpenMM-accelerated GROMACS enables > acceleration of molecular dynamics on specific NVIDIA and ATI GPU cards. " > > I downloaded gromacs 4.5.4, along with the openmm 3.0. The installation of > the packages went fine, yet while trying to build the > mdrun-gpu option giving the command: > > cmake -DGMX_OPENMM=ON > > the installation aborted with the error: > > CMake Error at cmake/FindCUDA.cmake:465 (message): > Specify CUDA_TOOLKIT_ROOT_DIR > Call Stack (most recent call first): > CMakeLists.txt:434 (find_package) > > > -- Configuring incomplete, errors occurred! > > Since gromacs developers are working alongside openmm ones: > > 1) does gromacs support the opencl framework? > 2) if the answer to the above is affirmative, what am I supposed to do, so > as the compilation to succeed? > 3) if the answer to the 1st question is negative, could you please be more > specific about the context "future"? > > Thank you in advance, > Nikos > > > > -- > gmx-users mailing list [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
-- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
