Modeling and simulation play a key role in enhancing nanoscale fabrication and characterization as they can guide experimental research, drastically reduce the required number of trial and error iterations, and enable more in depth interpretation of the characterization results. Various NNCI sites provide a diverse set of software and hardware resources and capabilities that if made readily accessible can greatly help and even expand the NNCI user community. A collective inventory of modeling and simulation resources and capabilities across NNCI sites are available at nanoHUB.
Software resources include commercial software packages and the latest academic nanoscale modeling and simulation tools. Hardware resources include supercomputers and computing clusters. Development and maintenance of these resources are funded by various sources and as such there may be certain restrictions in terms of who can access and use them. Some of the latest academic tools have not been made publicly available and interested researchers are directed to the scientific papers describing them.
NNCI Hardware Resources
|Name||Vendor||Brief Description||Internal Users||External Academic Users||External Government or Industry Users||Other Restrictions||Contact Person|
|Cray XC30||Cray||Cray XC30 supercomputer with GPU and CPU capabilities||Yes||Yes||Yes, with fee||Can be used only for research and not for designing commercial products.||Dr. Kristen Rhinehardt/ Dr. Ram Mohan|
|Computational Lab||Dell||Multiple quad core computers with licensed software installed||Yes||Yes||Yes, with fee||Can be used only for research in collaboration with internal faculty and not for designing commercial products.||Dr. Ram Mohan|
|CNF Nanolab Computing Cluster||various||The Nanolab cluster provides users the opportunity to use a wide range of modeling software tailored for nanoscale systems. Several classes of nodes, all linked via Gigabit Ethernet, are available on the cluster. The cluster runs Scientific Linux 7 with OpenHPC. Slurm is the batch job queuing system. We will install new scientific codes on the cluster upon user request. More info is at http://computing.cnf.cornell.edu/Cluster||Yes, with fee||Yes, with fee||Yes, with fee|
|TNF (UT Austin)|
|Stampede||TACC Supercomputer||Yes, free||Yes, with fee||Yes, with fee|
|Lonestar||TACC Supercomputer||Yes, free||Yes, with fee||Yes, with fee|
|Maverick||TACC Supercomputer||Yes, free||Yes, with fee||Yes, with fee|