https://bugzilla.redhat.com/show_bug.cgi?id=1474958
--- Comment #10 from Antonio Trande <anto.trande(a)gmail.com> ---
(In reply to Christoph Junghans from comment #9)
(In reply to Antonio Trande from comment #8)
> Okay.
>
> - Another issue: MPI libraries and binary files are not compiled with
> related MPI compilers. Use
>
> export CC=mpicc
> export CXX=mpicxx
> export FC=mpif90
> export F77=mpif77
>
> before running '%cmake ...' commands; so
>
> cd openmpi
> %{_openmpi_load}
> export CC=mpicc
> export CXX=mpicxx
> export FC=mpif90
> export F77=mpif77
> %{cmake3} \
> %{defopts} \
> -DENABLE_MPI=ON \
> -DENABLE_MPIIO=ON \
> -DCMAKE_INSTALL_BINDIR=$MPI_BIN \
> -DCMAKE_INSTALL_LIBDIR=$MPI_LIB \
> ../cmake
> %make_build
> %{_openmpi_unload}
> cd ..
I think that is not needed, LAMMPS's cmake uses find_package(MPI) and then
injects the MPI include dir (e.g. -I/usr/include/openmpi-x86_64) and the MPI
library (e.g. /usr/lib64/openmpi/lib/libmpi_cxx.so) automatically.
>
Yes, instead.
Check, for example, the MPIs 'lmp' dependencies and you'll see that
they're not
correctly linked to the MPI libraries.
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