Home > CSSS Seminars > Michela Tauper   Michela Tauper Computer Sciences Department Swiss Federal Institute of Technology CHARMM on distributed architectures Distributed computing systems provide significant potential for speed-up and high computing power at low cost. Existing high performance computing codes in scientific computation are migrated to clusters of PCs and their migration to computational grid looks tempting. Successful migrations require proper performance analysis of the entire complex system including the underling hardware, software and the code applications. This talk examines the viability and effectiveness of the migration of the scientific computation code CHARMM (Chemistry at HARvard Macromolecular Mechanics) to distributed systems. It shows the benefits and the limits of different kinds of parallelism (i.e. data and task parallelism) for some common CHARMM applications (i.e. energy calculation, protein folding) on different kinds of distributed architectures (e.g. clusters of PCs, commercial desktop computational grid). This talk also sketches some solutions to the identified limits of plain task parallelism of CHARMM applications on computational grid.
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