Title
Numerical strategies towards peta-scale simulations of nanoelectronics devices
Abstract
We address two challenges with the development of next-generation nanotransistors, (i) the capability of modeling realistically extended structures on an atomistic basis and (ii) predictive simulations that are faster and cheaper than experiments. We have developed a multi-dimensional, quantum transport solver, OMEN, towards these goals. To approach the peta-scale, the calculation of the open boundary conditions connecting the simulation domain to its environment is interleaved with the computation of the device wave functions and the work load of each task is predicted prior to any calculation, resulting in a dynamic core allocation. OMEN uses up to 147,456 cores on Jaguar with four levels of MPI parallelization and reaches a sustained performance of 504 TFlop/s, running at 37% of the machine peak performance. We investigate 3D nanowire transistors with diameters up to 10nm, reproduce experimental data of high electron mobility 2D transistors, and expect increased capabilities by using over 300,000 cores in the future.
Year
DOI
Venue
2010
10.1016/j.parco.2010.01.003
Parallel Computing
Keywords
Field
DocType
dynamic core allocation,machine peak performance,peta-scale,numerical strategy,high electron mobility,extended structure,nanoelectronics,peta-scale simulation,experimental data,nanoelectronics device,atomistic basis,mpi parallelization,device wave function,nanowire transistor,atomistic device simulations,high performance computing,sustained performance,nanowires
Boundary value problem,Nanoelectronics,Supercomputer,Computer science,Parallel computing,Theoretical computer science,Wave function,Solver,Transistor,Electron mobility,Computation
Journal
Volume
Issue
ISSN
36
2-3
Parallel Computing
Citations 
PageRank 
References 
4
0.51
5
Authors
2
Name
Order
Citations
PageRank
Mathieu Luisier1568.55
Gerhard Klimeck212926.11