[gmx-users] How to provide the FFTW3 install directory

Justin Lemkul jalemkul at vt.edu
Sun Mar 30 23:59:11 CEST 2014

On 3/30/14, 12:17 PM, Ly Minh Nhat wrote:
> Hi,
> When I use cmake to install GROMACS, the output says:
> -- The CXX compiler identification is unknown
> CMake Error: your CXX compiler: "CMAKE_CXX_COMPILER-NOTFOUND" was not
> found.   Please set CMAKE_CXX_COMPILER to a valid compiler path or name.
> -- Using default binary suffix: ""
> -- Using default library suffix: ""
> -- checking for module 'libxml-2.0'
> --   package 'libxml-2.0' not found
> -- Could NOT find LibXml2 (missing:  LIBXML2_LIBRARIES LIBXML2_INCLUDE_DIR)
> -- Checking for isfinite
> -- Checking for isfinite - yes
> -- Checking for _isfinite
> -- Checking for _isfinite - no
> -- Checking for _finite
> -- Checking for _finite - no
> CMake Error at
> /usr/share/cmake-2.8/Modules/FindPackageHandleStandardArgs.cmake:108
> (message):
>    Could not find FFTW3F.  Provide the fftw3 install directory in the
>    FFTW3F_ROOT_DIR environment variable.  (missing: FFTW3F_LIBRARIES
> Call Stack (most recent call first):
>    /usr/share/cmake-2.8/Modules/FindPackageHandleStandardArgs.cmake:315
>    cmake/FindFFTW3F.cmake:31 (find_package_handle_standard_args)
>    CMakeLists.txt:729 (find_package)
> I have to provide the FFTW3 install directory in the FFTX3F_ROOT_DIR
> enviroment variable to make it work, but I don't know how. Please help me.

Well, FFTX3F_ROOT_DIR is not a valid identifier, so either you've made a typo 
here or in your actual command.  When reporting installation issues, you need to 
provide the exact command(s) you have given, copied and pasted from the terminal.

The easiest way to provide the location of FFTW is to use 
-DCMAKE_PREFIX_PATH=/path/to/your/fftw and the include and lib subdirectories 
will be located from it.



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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