Marcel
There is now a patch available for the OpenMPI 1.8 problem you encountered.
The patch is available at
http://nwchemgit.github.io/images/Armci_ompi18.patch.gz
To apply the patch, please do the following
cd $NWCHEM_TOP/src/tools/ga-5-2
wget http://nwchemgit.github.io/images/Armci_ompi18.patch.gz
gzip -d Armci_ompi18.patch
patch -p0 < Armci_ompi18.patch
cd ..
rm -rf build install
make
cd ..
make link
Please use the following env. variables, too.
export NWCHEM_TOP=/opt/Nwchem-dev.revision25716-src.2014-06-09
export NWCHEM_TARGET=LINUX64
export ARMCI_NETWORK=SOCKETS
export NWCHEM_MODULES="all"
export MPI_LOC=/opt/openmpi-1.8.1
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export MPI_LIB=$MPI_LOC/lib
export MPI_INCLUDE=$MPI_LOC/include
export LIBMPI="-lmpi_usempi -lmpi_mpifh -lmpi"
Please let me know if this solves your problem.
Cheers, Edo
|