Hello,<br _moz_dirty="" /><br _moz_dirty="" />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 automake method (cmake kept getting stuck at the 'make' phase).<br _moz_dirty="" /><br _moz_dirty="" />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.<br _moz_dirty="" /><br _moz_dirty="" />The current output from the cmake gives:<br _moz_dirty="" /><br _moz_dirty="" />cmake ../ -DGMX_OPENMM=ON -DGMX_THREADS=OFF<br _moz_dirty="" />-- Using default binary suffix: "-gpu"<br _moz_dirty="" />-- Using default library suffix: "_gpu"<br _moz_dirty="" />-- checking for module 'libxml-2.0'<br _moz_dirty="" />-- package 'libxml-2.0' not found<br _moz_dirty="" />-- Could NOT find LibXml2 (missing: LIBXML2_LIBRARIES LIBXML2_INCLUDE_DIR)<br _moz_dirty="" />CMake Error at /usr/share/cmake-2.6/Modules/FindPackageHandleStandardArgs.cmake:57 (MESSAGE):<br _moz_dirty="" /> Could NOT find CUDA (missing: CUDA_INCLUDE_DIRS CUDA_CUDART_LIBRARY)<br _moz_dirty="" />Call Stack (most recent call first):<br _moz_dirty="" /> cmake/FindCUDA.cmake:690 (find_package_handle_standard_args)<br _moz_dirty="" /> CMakeLists.txt:434 (find_package)<br _moz_dirty="" />-----------------------------------------------------------------------------------<br _moz_dirty="" /><br _moz_dirty="" />Any ideas on a fix? Also, does anyone knows of a means to compile mdrun-gpu using the standard automake method?<br _moz_dirty="" /><br _moz_dirty="" />Thanks in advance.<br _moz_dirty="" /><br _moz_dirty="" />Smitty<br _moz_dirty="" />