[gmx-users] compiling both MPI and non MPI versions --enable-shared

[David Mathog]

No answer yet to my previous query so I'm trying to compile things again.

To build an MPI version these were run:

#in top of gromacs distribution
export PATH=/usr/common/lam_mpi/bin:$PATH
export CFLAGS=" -I/usr/common/include"
export LDFLAGS=" -L/usr/common/lib"
export CPPFLAGS=" -I/usr/common/include"
make distclean
./configure \
  --enable-mpi \
  --program-suffix="_mpi" \
  --enable-shared \
  --libdir=/usr/common/lib
make
make install

and all went well. Now, to compile a normal version
(no MPI) one would presumably do:

make distclean
./configure \
  --enable-shared \
  --libdir=/usr/common/lib
make
make install

and there's the rub, the nonMPI version shared libraries are going
to overwrite the MPI shared libraries.  Is that ok?  That should be
safe if none of the routines in those libraries actually call or use
MPI in any way, but I have no idea if this is the case.

The installation instructions on the web site or mute on this point.

And the answer is...?

Thanks,

David Mathog
mathog at caltech.edu
Manager, Sequence Analysis Facility, Biology Division, Caltech