On Wed, Mar 7, 2012 at 5:34 AM, <steinbrt.rci.rutgers.edu> wrote:
> Hi,
>
> I just compiled A12 from a fresh checkout (Fedora16, gcc 4.5.3) and when
> building pmemd.cuda.mpi the compile failed when openMPI 1.4.5 was used
> with the message:
>
> undefined reference to MPI::Comm::Comm()
>
> but uninstalling openmpi and recompiling with mvapich2 1.7 worked fine.
> This may be expected behaviour if openMPI misses some MPI2 features, but
> many people will have openmpi as the default MPI lib. If it is not to be
> used, maybe there should be a warning in the installation instructions?
>
Try OpenMPI 1.5 -- I'm pretty sure I've compiled pmemd.cuda.MPI with that.
Furthermore, pmemd.cuda.MPI is the only program in Amber that won't
compile with "old"ish OpenMPI installations. Perhaps we should make
configure_openmpi only work for compatible OpenMPI versions?
It is probably worth a note, I'll add one to the manual and send it to Dave.
All the best,
Jason
> Thomas
>
> Dr. Thomas Steinbrecher
> formerly at the
> BioMaps Institute
> Rutgers University
> 610 Taylor Rd.
> Piscataway, NJ 08854
>
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Wed Mar 07 2012 - 09:00:03 PST
