[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

>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
>gmx-users mailing list
>gmx-users at gromacs.org
>Please don't post (un)subscribe requests to the list. Use the 
>www interface or send it to gmx-users-request at gromacs.org.

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

More information about the gromacs.org_gmx-users mailing list