A high-level approach to synthesis of high-performance codes for quantum chemistry
Document Type
Conference Proceeding
Publication Date
1-1-2002
Abstract
This paper discusses an approach to the synthesis of high-performance parallel programs for a class of computations encountered in quantum chemistry and physics. These computations are expressible as a set of tensor contractions and arise in electronic structure modeling. An overview is provided of the synthesis system, that transforms a high-level specification of the computation into high-performance parallel code, tailored to the characteristics of the target architecture. An example from computational chemistry is used to illustrate how different code structures are generated under different assumptions of available memory on the target computer.
Publication Source (Journal or Book title)
Proceedings of the International Conference on Supercomputing
Recommended Citation
Baumgartner, G., Bernholdt, D., Cociorva, D., Harrison, R., Hirata, S., Lam, C., Nooijen, M., Pitzer, R., Ramanujam, J., & Sadayappan, P. (2002). A high-level approach to synthesis of high-performance codes for quantum chemistry. Proceedings of the International Conference on Supercomputing, 2002-November https://doi.org/10.1109/SC.2002.10056
