Performance of a Parallel Transport Code for Molecular Electronics Simulations

Metz, Brent and Wienckowski, Justin and Ribbens, Calvin and Di Ventra, Massimiliano (2002) Performance of a Parallel Transport Code for Molecular Electronics Simulations. Technical Report TR-02-05, Computer Science, Virginia Tech.

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Abstract

We describe the sequential and parallel performance of a nonlinear transport simulation code. This code is used by researchers at Virginia Tech to investigate phenomena underlying the emerging eld of molecular electronics. The computational requirements of the code are summarized, and an initial distributed-memory parallel implementation of the code is evaluated. We conclude with several suggestions for improving the parallel performance and scalability of the code.

Item Type:	Departmental Technical Report
Subjects:	Computer Science > Parallel Computation
ID Code:	630
Deposited By:	Administrator, Eprints
Deposited On:	25 October 2002