This requires a new file - libxMPI.f - which contains the interface to the MPI library and modifications to the makefile and the machine specific include file to provide information about the MPI libraries and include files.- Updating Crystal98.
This example refers to a port to a PC running Linux with the Portland Group compiler - ports to other machines should be straightforward if the local MPI documentation is available.
We assume that CRYSTAL98 has been copied from the CD and that the directores ./src and ./src/Xmakes exist.Download libxMPI.f, makefile.MPI, and, Linux-pgf-MPI.inc
Copy libxMPI.f and makefile.MPI to ./src
Copy Linux-pgf-MPI.inc to; ./src/Xmakes.;Then try:
cd src
make -f Makefile.MPI ARCH=Linux-pgf-MPI
make -f Makefile.MPI ARCH=Linux-pgf-MPI parallelNote that the only machine specific instructions are contained in Linux-pgf-MPI where the compiler flags and the variable PLIB must be defined.