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

[Mike Hanby]

Thanks for the reply, so the next question, after I finish building single precision non parallel, is there an efficient way to kick off the double precision build, then the single precision mpi and so on?

Or do I need to delete everything from my build directory before running cmake again?

One concern is that each time I run cmake, it will download fftw and the regression tests.


-----Original Message-----
From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of Mark Abraham
Sent: Monday, April 15, 2013 11:05 AM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Building Single and Double Precision in 4.6.1?

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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