Abstract:
The main variants of GRID technology applications in the field of computing chemistry
are considered. The main achievements of the authors in usage of similar technologies
on the basis of the GRID resource site at the Institute of Problems of Chemical Physics
(Russian Academy of Sciences) are discussed. The main types of the problems, the used
technologies, and the main solution techniques in distributed environments, including
the development of applied program interfaces of various level to start in the
distributed computing environments, methods of creation and start of “bunches” of
independent tasks on the distributed resources, creations of user's WWW interfaces,
methods of dynamic creation of the calculation's environment, etc. are described.
Keywords:distributed computing; quantum and computational chemistry; GRID.