[gmx-users] Trouble installing mdrun-gpu from gromacs 4.5.4 package

[Андрей Гончар]

Hi!
Maybe you have to install a missing packages, libxml2 and CUDA?

2011/8/11 Micholas Smith <mds322 at drexel.edu>:
> (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
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-- 

Андрей Гончар