Efficient Parallel Implementation of Molecular Dynamics on a Toroidal Network. Part I. Parallelizing Strategy

Statistics – Computation

Scientific paper

Rate now

  [ 0.00 ] – not rated yet Voters 0   Comments 0

Details

17

Scientific paper

Molecular dynamics simulations require supercomputers. A specific class of supercomputers is that of parallel computers. We derive an implementation of molecular dynamics on a toroidal network of processors. First, we argue that for a fast algorithm the simulation universe has to be divided into regular cells, and we determine the best shape of these cells. For a parallel implementation, we choose to distribute cells rather than particles and we show how to assign the cells to processors, given certain restrictions on universe and network. The assignment is proven to be optimal with respect to communication cost. We go on to explain our implementation. Finally, we compare the timing results with those for computations performed on a Cray single-processor machine. The physical results obtained with the implementation are discussed elsewhere.

No associations

LandOfFree

Say what you really think

Search LandOfFree.com for scientists and scientific papers. Rate them and share your experience with other people.

Rating

Efficient Parallel Implementation of Molecular Dynamics on a Toroidal Network. Part I. Parallelizing Strategy does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Efficient Parallel Implementation of Molecular Dynamics on a Toroidal Network. Part I. Parallelizing Strategy, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Efficient Parallel Implementation of Molecular Dynamics on a Toroidal Network. Part I. Parallelizing Strategy will most certainly appreciate the feedback.

Rate now

     

Profile ID: LFWR-SCP-O-1681981

  Search
All data on this website is collected from public sources. Our data reflects the most accurate information available at the time of publication.