[gmx-users] mpicc build problems - /usr/bin/ld: BFD 2.11.93.0.2

[Cliff Addison]

Thanks to some good help from several people, I have been able to build 
and run the parallel version of GROMACS 3.2.1 on our local cluster.  It 
appears that this is an error message from the loader that occurs when 
configure has found the wrong version of a library or if the link path 
is such that the wrong library is used to satisfy external references.

In the case of GROMACS 3.2.1 on an SCore 5.4 system, configure found the 
wrong version of the motif libraries and wanted to load some libraries 
dynamically when they should have been used statically.

The solution (the important bit for nearly all of us) was to configure 
the build using:

./configure --disable-x86-asm --enable-mpi --program-suffix=_mpi 
--without-x --enable-all-static

As Erik Lindahl pointed out, it really is only mdrun_mpi that is 
relevant. Everything else can be run from the single processor build, so 
building without X-windows (and hence not needing motif libraries) and 
forcing a static build is not really a big liability.

Hope this is of some help to others.

Cliff

-- 
Cliff Addison
Computing Services Department
University of Liverpool
Liverpool L69 3BX
UK

Phone: +44 151 794 3753
FAX:   +44 151 794 3759