I have correctly set up the path for MPI and FFTW which can be seen from Makefile.linux.png … please do help me regarding the same … thanks in advance …
I think I answered this already, but maybe not. Those
are link errors, meaning some additional lib is probably
needed. Check you MPICH docs. I would try -lpthread since
that is what I use on my Linux box. This is really an MPI
question, not a LAMMPS question.
Steve
I think I answered this already, but maybe not. Those
are link errors, meaning some additional lib is probably
needed. Check you MPICH docs. I would try -lpthread since
that is what I use on my Linux box. This is really an MPI
question, not a LAMMPS question.
well, to some small degree it is a LAMMPS issue, too.
the way you are supposed to compile and link MPI programs is
to use the mpicxx (or mpiCC or mpic++) wrapper and _that_
should take care of setting the proper include and library paths
and link whatever is needed.
however, the corresponding wrappers - particularly in MPICH1 - were
_so_ bad at passing compiler flags correctly to the underlying compilers,
that people got into the habit of bypassing the wrappers and specifying
the include path, library path explicitly and link libraries explicitly and
thus leading to a significant amount of confusion to people that don't
use plain MPICH but derived versions or alternate MPI implementations
(like OpenMPI that doesn't suffer from these problems).
thus my suggestion would be to try the openmpi configuration instead
and perhaps replacing mpic++ with mpicxx or mpiCC depending on
what c++ wrappers are installed by the MPI package at hand.
cheers,
axel.