[gmx-users] Building Single and Double Precision in 4.6.1?

[Mark Abraham]

That's best. GROMACS will take care of a _d suffix for double precision for
you.

Mark


On Mon, Apr 15, 2013 at 5:39 PM, Mike Hanby <mhanby at uab.edu> wrote:

> Howdy,
>
> What's the proper procedure for building both single and double precision
> and installing them to the same directory?
>
> For example, is this the proper set of steps?
>
> #Build and install single precision
> cmake .. \
>    -DGMX_BUILD_OWN_FFTW=ON \
>    -DCMAKE_INSTALL_PREFIX=/share/apps/gromacs/4.6.1 \
>    -DREGRESSIONTEST_DOWNLOAD=ON
> make
> make check
> make install
>
> cmake .. \
>    -DGMX_BUILD_OWN_FFTW=ON \
>    -DGMX_DOUBLE=ON \
>    -DCMAKE_INSTALL_PREFIX=/share/apps/gromacs/4.6.1 \
>    -DREGRESSIONTEST_DOWNLOAD=ON
> make
> make check
> make install
>
> Or is there a more efficient way? Thanks, Mike
> --
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