SCHEDULE: NOV 10-16, 2007

A Massively Parallel Simulator for Nano-Electronics

Session: Posters Reception

Event Type: Poster

Time: 5:15pm - 7:00pm

Session Chair: Tamara K Grimmett

Author(s): Hansang Bae, Steve Clark, Gerhard Klimeck, Sunhee Lee, Maxim Naumov, Faisal Saied

Location: Ballroom Lobby

Abstract:
Simulating realistic nano-electronic devices using an atomistic, quantum mechanical model leads to very large scale problems for the electronic structure. NEMO 3-D is scalable code that can model devices such as quantum dots. We present new performance analyses that demonstrate that our electronic structure code scales effectively on the Cray XT3, the BlueGene, and an Intel Woodcrest cluster.

We are especially interested in exploiting petascale compute power for nano-electronic applications. Through an in-depth performance analysis of NEMO3d on the most advanced architectures, we show that our code achieves a very favourable balance between computation and communication for a relatively small number of atoms per core, in the weak scaling context.

Our results, including some up to 8192 processors, show that NEMO 3-D is very well-suited for scaling up significantly and computations with 50 to 100 millions of atoms could be routinely performed on a petascale machine.

Chair/Author Details:

Tamara K Grimmett (Chair)
INL

Hansang Bae
Purdue University

Steve Clark
Purdue University

Gerhard Klimeck
Purdue University

Sunhee Lee
Purdue University

Maxim Naumov
Purdue University

Faisal Saied
Purdue University

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