Synthesis of high-performance parallel programs for a class of Ab Initio quantum chemistry models
Document Type
Conference Proceeding
Publication Date
1-1-2005
Abstract
This paper provides an overview of a program synthesis system for a class of quantum chemistry computations. These computations are expressible as a set of tensor contractions and arise in electronic structure modeling. The input to the system is a a high-level specification of the computation, from which the system can synthesize high-performance parallel code tailored to the characteristics of the target architecture. Several components of the synthesis system are described, focusing on performance optimization issues that they address. © 2005 IEEE.
Publication Source (Journal or Book title)
Proceedings of the IEEE
First Page
276
Last Page
291
Recommended Citation
Baumgartner, G., Auer, A., Bernholdt, D., Bibireata, A., Choppella, V., Cociorva, D., Gao, X., Harrison, R., Hirata, S., Krishnamoorthy, S., Krishnan, S., Lam, C., Lu, Q., Nooijen, M., Pitzer, R., Ramanujam, J., Sadayappan, P., & Sibiryakov, A. (2005). Synthesis of high-performance parallel programs for a class of Ab Initio quantum chemistry models. Proceedings of the IEEE, 93 (2), 276-291. https://doi.org/10.1109/JPROC.2004.840311