6.1.2 Running MOLPRO on parallel computers

MOLPRO will run on distributed-memory multiprocessor systems, including workstation clusters, under the control of the Global Arrays parallel toolkit. There are also some parts of the code that can take advantage of shared memory parallelism through the OpenMP protocol, although these are somewhat limited, and this facility is not at present recommended. It should be noted that there remain some parts of the code that are not, or only partly, parallelized, and therefore run with replicated work. Additionally, some of those parts which have been parallelized rely on fast inter-node communications, and can be very inefficient across ordinary networks. Therefore some caution and experimentation is needed to avoid waste of resources in a multiuser environment.