[gmx-users] help with gromacs install in opensuse 64b

Mark Abraham Mark.Abraham at anu.edu.au
Mon Apr 28 15:49:12 CEST 2008

fabracht sdf wrote:

> Thanks a lot for the info Mark. I just have one last question.
> If I have already compiled my mpi libraries (openmpi). How come gromacs 
> can't find it?
> Maybe if I tried compiling a different package, like lam-mpi or 
> something like that?
> Do you have any suggestions?

The executables need to be in your PATH, as I said. The libraries also 
need to be available in your environment (e.g. LD_LIBRARY_PATH 
environment variable) or via something like LIBS=-L/path/to/mpi/lib on 
your configure command line.

Just installing something is never useful unless it either goes into a 
standard location that your environment already knows about (and risks 
clobbering something already there, like another MPI installation), or 
into its own location that is more likely to be unique and avoid 
clashes, but accordingly, won't already be in your environment. You can 
probably Google for lots of information on these topics - but they're 
off-topic for this list.


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