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There are many science applications that require scalable task-level parallelism and support for flexible execution and coupling of ensembles of simulations. Most high-performance system software and middleware, however, are designed to support the e
Externí odkaz:
http://arxiv.org/abs/1602.00678
Autor:
Treikalis, Antons, Merzky, Andre, Chen, Haoyuan, Lee, Tai-Sung, York, Darrin M., Jha, Shantenu
Replica Exchange (RE) simulations have emerged as an important algorithmic tool for the molecular sciences. RE simulations involve the concurrent execution of independent simulations which infrequently interact and exchange information. The next set
Externí odkaz:
http://arxiv.org/abs/1601.05439
Autor:
Treikalis, Antons
Replica Exchange (RE) simulations have emerged as an important algorithmic tool for the molecular sciences. Typically RE functionality is integrated into the molecular simulation soft- ware package. A primary motivation for the tight integration of R
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::efbcf312bb0c876d7fd06c9a4aad1702
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