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?
Thomas
Dr. Thomas Steinbrecher
formerly at the
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
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Received on Wed Mar 07 2012 - 03:00:03 PST
