[gmx-users] gmx-4.5.3 CMake build fails

[Mark Abraham]

On 14/12/2010 8:02 PM, Reinhold Bader wrote:
>   Hello,
>
>     building gromacs 4.5.3 with Cmake 2.6.3 fails because the build system cannot link
>    g_analyze
>
> Linking C executable g_analyze
> ../gmxlib/libgmx.a(gmx_matrix.c.o): In function `matrix_invert':
> gmx_matrix.c:(.text+0x1d62): undefined reference to `dgetrf_'
> gmx_matrix.c:(.text+0x2442): undefined reference to `dgetri_'
>
>    Note that I have
>
>   GMX_EXTERNAL_BLAS -->  ON
>   GMX_EXTERNAL_LAPACK -->  ON
>
>    and the subsequently requested MKL_ settings have been properly inserted. I've tried
>    to work around this by also adding the MKL libraries to CMAKE_EXE_LINKER_FLAGS,
>    without avail.

Use make VERBOSE=1 and see how the produced linker line agrees with your 
MKL documentation.

Mark