Research And Implementation Of UDLC Language Operational Semantics On Grid

Computer chemistry is an interdiscipline, which interpenetrates chemistry and computer science, mathematics and other disciplines. With the help of computer and network communication technology, computer chemistry is at the rapid development. There is a variety of chemistry software, which could be used to solve chemical problems. Meanwhile, Grid could be a possible platform for computational chemistry. In recent years, many grid projects for computer chemistry have been developed. However, these projects did not provide a common description language for different chemistry software. The researchers, who will use these software, have to learn more than one description languages. In order to address this problem, we design a common description language, called UDLC. The UDLC language is a General Chemistry Job Description Language (Unified Job-Description Language on Chemical-Grid, UDLC for short). UDLC is a chemistry software scripting language, which is accurate, efficient, and suitable for chemists. Moreover, UDLC is implemented on the grid environment and could meet the requirements of scientific computing.After studying the features of compiler and CGSP grid programming interfaces and syntax features of the UDL, we implemented the operational semantics of UDLC basing on the CGSP grid environment. Further more, we designed and developed the corresponding software system modules, including UDLC compiler target code generator, UDLC runtime environment and so on. Using these software, chemists could edit chemistry job in UDLC, which will be submitted to the CGSP grid platform to finish chemistry calculation work.In this paper, the main work and research results are as follows:1. We researched and implemented semantic analysis of the UDLC, based on the grid environment. Moreover, we established the mapping between source grammar structure of the UDLC and target code structure.2. We studied and implemented running mechanism of the UDLC on the grid environment.3. We designed and developed the UDLC compiler target code generator. UDLC compiler target code generator could translate UDLC language to target code.4. We design and developed the UDLC runtime environment.software modules. UDLC Runtime Environment will run the target code, which is generated by the UDLC compiler target code generator.