Re: [AMBER] Amber16 configure: error: could not find mpi library for --enable-mpi

From: David Case <>
Date: Mon, 29 May 2017 19:55:42 -0400

On Mon, May 29, 2017, Lucas wrote:
> Last year a user posted the message in the end of the mail about the
> common error " could not find mpi library for --enable-mpi"
> I'm running into the same problem, and from the response given then it
> means either the user doesn't have an mpi library installed or it is

This is a difficult problem, and (notwithstanding the earlier reply) probably
has nothing to do with LD_LIBRARY_PATH.

> So I installed mpich,

The problem is that we don't know what to you did to "install mpich", and
debugging the fftw parallel installtion procedure is a task beyond my
comfort zone.

If you are on Linux, make sure that you install both the mpich *and* the
mpich-dev (or mpich-devel) libraries.

But my best suggestion is this, which is what we almost always suggest for
mpi problems:

cd $AMBERHOME/AmberTools/src
./configure_mpich gnu

(You may have to download the code, as explained in the output to the
above command.) This sets up all the MPI directories *within* the AMBERHOME
directory tree, and ensures that you will have the proper functions like
mpicc and mpif90 available (assuming that $AMBERHOME/bin comes before any
other mpi stuff in your $PATH.

..give this a try....dac

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Received on Mon May 29 2017 - 17:00:03 PDT
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