کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10349677 | 863692 | 2012 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A distributed approach to verification and validation of electronic structure simulation data using ESTEST
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
We present a Verification and Validation (V&V) approach for electronic structure computations based on a network of distributed servers running the ESTEST (Electronic Structure TEST) software. This network-based infrastructure enables remote verification, validation, comparison and sharing of electronic structure data obtained with different simulation codes. The implementation and configuration of the distributed framework is described. ESTEST features are enhanced by server communication and data sharing, minimizing the duplication of effort by separate research groups. We discuss challenges that arise from the use of a distributed network of ESTEST servers and outline possible solutions. A community web portal called ESTEST Discovery is introduced for the purpose of facilitating the collection and annotation of contents from multiple ESTEST servers. We describe examples of use of the framework using two currently running servers at the University of California Davis and at the Centre Européen de Calcul Atomique et Moléculaire (CECAM).
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 183, Issue 8, August 2012, Pages 1744-1748
Journal: Computer Physics Communications - Volume 183, Issue 8, August 2012, Pages 1744-1748
نویسندگان
Gary Yuan, François Gygi,