Title :
Application of Linda to molecular modeling
Author :
Mattson, Timothy G. ; Shifman, Mark A.
Author_Institution :
Dept. of Comput. Sci., Yale Univ., New Haven, CT, USA
Abstract :
Presents a sampling of work applying parallel computation to computational chemistry using the Linda machine-independent parallel programming language. The authors focus on two projects in particular. The first project parallelized the well-known distance geometry program, DGEOM, while the second project looked at a molecular dynamic code. In both cases, the Linda programs were relatively easy to develop and delivered good performance on a variety of MIMD architectures
Keywords :
chemistry computing; computational geometry; molecular configurations; molecular dynamics method; parallel languages; parallel programming; physics computing; DGEOM; Linda; MIMD architectures; computational chemistry; distance geometry program; machine-independent parallel programming language; molecular dynamic code; molecular modeling; parallel computation; performance; Application software; Arithmetic; Biomedical informatics; Chemistry; Computer architecture; Computer science; Concurrent computing; Data mining; Geometry; Sampling methods;
Conference_Titel :
Scalable High Performance Computing Conference, 1992. SHPCC-92, Proceedings.
Conference_Location :
Williamsburg, VA
Print_ISBN :
0-8186-2775-1
DOI :
10.1109/SHPCC.1992.232640
