NEMO 3D: Intel optimizations and Multiple Quantum Dot Simulations
03 Aug 2006 | Online Presentations | Contributor(s): Anish Dhanekula, Gerhard Klimeck
NEMO-3D is a nanoelectronic modeling tool that analyzes the electronic structure of nanoscopic devices. Nanoelectronic devices such as Quantum Dots (QDs) can contain millions of atoms,. Therefore, simulating their electronic structure, can take up to several days. In order to simulate and analyze such devices in a time efficient manner one needs to use the most advanced computing technology available to date. This paper discusses the methods and technologies used to implement changes in NEMO 3D in order to save computing time. Intel’s SSE 3 instruction set, also known as PNI (Prescott New instruction set), was used to tweak NEMO 3D in order to enhance its performance on the most advanced processors. The Hamlet cluster, consisting of 32 bit Intel processors, was used as a benchmark and the changes were tested on the Lear cluster, comprising of 64-bit Intel processors. Inputs describing quantum devices containing up to 48 million atoms were used to test the changes with the above mentioned systems. From the experiments only a 3-10 % improvement was noticed on the inputs tested. The results were sent to Intel for rechecking, and they were sent back after a problem was found and fixed. The new results showed an improvement of 24% in the electronic structure calculations. This implies that optimizations can be made to the strain calculations for further improvements in performance.