https://bugzilla.redhat.com/show_bug.cgi?id=1474958
--- Comment #11 from Christoph Junghans <junghans(a)votca.org> ---
(In reply to Antonio Trande from comment #10)
(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.
Where do you see that?
In build.log (from
https://kojipkgs.fedoraproject.org//work/tasks/5046/21245046/build.log), it
says:
[100%] Linking CXX executable lmp
/usr/bin/cmake -E cmake_link_script CMakeFiles/lmp.dir/link.txt --verbose=1
/usr/bin/c++ -O2 -g -pipe -Wall -Werror=format-security
-Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong
--param=ssp-buffer-size=4 -grecord-gcc-switches
-specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -m64 -mtune=generic
-Wl,-z,relro -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic
CMakeFiles/lmp.dir/builddir/build/BUILD/lammps-patch_11Aug2017/src/main.cpp.o
-o lmp
-Wl,-rpath,/builddir/build/BUILD/lammps-patch_11Aug2017/openmpi:/usr/lib64/openmpi/lib:
liblammps.so.0 /usr/lib64/openmpi/lib/libmpi_cxx.so
/usr/lib64/openmpi/lib/libmpi.so -lfftw3 -lpython3.6m -ljpeg -lpng -lz -lm
(for openmpi)
[100%] Linking CXX executable lmp
/usr/bin/cmake -E cmake_link_script CMakeFiles/lmp.dir/link.txt --verbose=1
/usr/bin/c++ -O2 -g -pipe -Wall -Werror=format-security
-Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong
--param=ssp-buffer-size=4 -grecord-gcc-switches
-specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -m64 -mtune=generic
-Wl,-z,relro -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -rdynamic
CMakeFiles/lmp.dir/builddir/build/BUILD/lammps-patch_11Aug2017/src/main.cpp.o
-o lmp
-Wl,-rpath,/builddir/build/BUILD/lammps-patch_11Aug2017/mpich:/usr/lib64/mpich/lib:
liblammps.so.0 /usr/lib64/mpich/lib/libmpicxx.so /usr/lib64/mpich/lib/libmpi.so
-lfftw3 -lpython3.6m -ljpeg -lpng -lz -lm
(for mpich)
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