A..3.11.2 Parallel MOLPRO with MPI 1

The following additional packages should be installed via YaST:

mpich

provides MPI 1 library

mpich-devel

provides MPI 1 library

For parallel MOLPRO the latest stable version of the Global Arrays toolkit should be downloaded. Build and test the Global Arrays toolkit for 64-bit machines with:

make TARGET=LINUX64 FC=gfortran CC=gcc USE_MPI=y\
     MPI_LIB=/opt/mpich/ch-p4/lib64\
     MPI_INCLUDE=/opt/mpich/ch-p4/include LIBMPI=-lmpich
/opt/mpich/ch-p4/bin/mpirun ./global/testing/test.x

or on 32-bit machines with:

make TARGET=LINUX FC=gfortran CC=gcc USE_MPI=y\
     MPI_LIB=/opt/mpich/ch-p4/lib\
     MPI_INCLUDE=/opt/mpich/ch-p4/include LIBMPI=-lmpich
/opt/mpich/ch-p4/bin/mpirun ./global/testing/test.x

Then configure and build MOLPRO with:

./configure -batch -gcc -gfortran\
            -mpp -mppbase /path/to/directory/ga-4-0-8
make