<P>
Does this mean thai I can't recompile gromacs because I had used a binary package for <BR>
installing gromacs.<BR>
Isn't there any way in which I can compile gromacs, without having to install it again?<BR>
<BR>
<BR>
<BR>
<BR>
On Thu, 06 Nov 2008 Martin Höfling wrote :<BR>
>You're probably not in a source directory.<BR>
><BR>
>As you mentioned - you need an mpi-enabled version (linked vs your<BR>
>installed MPI library).<BR>
><BR>
>If you're unexperienced in compiling, check first if there are binary<BR>
>packages (with mpi) for OS X.<BR>
><BR>
>If not, here the roughly sketched steps:<BR>
>- obtain the source (tar.gz or checkout via cvs)<BR>
>- ./bootstrap (only when cvs version used)<BR>
>- Configure via ./configure. The interesting options for you migth be:<BR>
> --enable-mpi --program-suffix="_mpi"<BR>
>- make mdrun<BR>
>- make install (as superuser or specify a prefix for user installation<BR>
>in ./configure)<BR>
><BR>
>The gromacs website and wiki contains more information about the steps.<BR>
><BR>
>Good luck<BR>
> Martin<BR>
><BR>
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