[gmx-users] installation
David van der Spoel
spoel at xray.bmc.uu.se
Wed Dec 28 10:52:14 CET 2005
Rongliang Wu wrote:
>Hello gmx-users,
> when configure with the commands: ./configure --prefix=/export/home/wurl/fftw --enable-threads
> i get at the end of confifure:
> Seems you are compiling with MPI support. You can install the MPI-
> enabled programs with suffixed names to have both MPI and non-MPI
> versions. This is useful e.g. on supercomputers where you usually
> cannot run MPI-linked programs on the login node.
> Set a suffix with e.g. --program-suffix=_mpi (or _mpi_d for double).
> You only need MPI for mdrun, so if you already have non-MPI stuff
> installed you can issue make mdrun; make install-mdrun.
> i don't know whether this will install parallel version, does it mean it cannot find the mpi in my computer?
>
>
no it's fine. type make install
>
>
>
>
>Thanks!
>
>Regards!
>
>Sincerely,
>
>Rongliang Wu
>State Key Laboratory
>of Polymer Physics and Chemistry
>Center of Molecular Science
>Institute of Chemistry
>Chinese Academy of Sciences
>
>
> wurl04 at iccas.ac.cn
> 2005-12-28
>
>
>------------------------------------------------------------------------
>
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--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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