ESTEST: A Framework for the Verification and Validation of Electronic Structure Codes
ORAL
Abstract
ESTEST is a verification and validation (V\&V) framework for electronic structure codes that supports Qbox, Quantum Espresso, ABINIT, the Exciting Code and plans support for many more. We discuss various approaches to the electronic structure V\&V problem implemented in ESTEST, that are related to parsing, formats, data management, search, comparison and analyses. Additionally, an early experiment in the distribution of V\&V ESTEST servers among the electronic structure community will be presented. [1] G. Yuan and F. Gygi, Computational Science and Discovery (2010) (in press).
*Supported by NSF-OCI 0749217 and DOE FC02-06ER25777.
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