AMBER Archive (2007)

Subject: RE: AMBER: environment variables

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Mon Jun 25 2007 - 14:43:39 CDT

Hi Francesco,

> I have installed openmpi-1.2.3/libnuma on Linux Debian amd64 etch in
> /usr/local. Following Amber's manual, I should now set
> $MPI_HOME/bin on my PATH
> and $MPI_HOME/lib on my LD_LIBRARY_PATH. I don't understand,
> as MPi_HOME is not
> an environment variable of openmpi.

MPI_HOME is the environment variable used by Amber's configure script. The
issue is that since Amber runs on so many different operating systems and so
many different flavours of MPI so it would not be possible to describe all
the different options in the manual. Hence we just describe things in terms
of MPI_HOME. Essentially all you need to do is set MPI_HOME to point to the
root directory of the mpi installation you plan to use, make sure when you
specify mpif90, mpirun etc it picks up the correct versions and if necessary
(not always required) that LD_LIBRARY_PATH contains an entry for the
directory with the mpi libraries in.
 
So if you are confident you know what you are doing just set MPI_HOME and
forget about the rest. Hopefully you'll be able to compile it all okay.

All the best
Ross

/\
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|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
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