(My apologizes for the double post, my mail client apparently sent my previous email as html, so here is a clean re-print)
Hello, After undergoing a fresh installation of Gromacs 4.5.4, I still can't seem to get the mdrun-gpu program to compile and install. In order to get the original package to install I had to use the standard autoconf/make method (cmake kept getting stuck at the 'make' phase). I have managed to get an older binary version of the mdrun-gpu working correctly, but I would like to not have two different of versions of gromacs floating around my office. The current output from the cmake gives: cmake ../ -DGMX_OPENMM=ON -DGMX_THREADS=OFF -- Using default binary suffix: "-gpu" -- Using default 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 /usr/share/cmake-2.6/Modules/FindPackageHandleStandardArgs.cmake:57 (MESSAGE): Could NOT find CUDA (missing: CUDA_INCLUDE_DIRS CUDA_CUDART_LIBRARY) Call Stack (most recent call first): cmake/FindCUDA.cmake:690 (find_package_handle_standard_args) CMakeLists.txt:434 (find_package) ----------------------------------------------------------------------------------- Any ideas on a fix? Or does anyone knows of a means to compile mdrun-gpu using the standard autoconf/make method? Thanks in advance. Smitty -- 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
