Last modified
February 29, 2000

  Seminar Abstract
Center for Data Intensive Computing


 
 


 

Parallel Computing and Electronic Structure: A Case Study

Historically, electronic structure calculations often have stretched the "supercomputing" resources available. As computational power increases, new approaches and algorithms are needed. Our experiences with developing electronic structure codes suitable for parallel computers such as the Cray T3e and IBM SP2, will be described. This talk will be in the form of a tutorial and will emphasize parallelization strategies and how these can be implemented using MPI.

 

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