Improvements of the UltraScan scientific gateway to enable computational jobs on large-scale and open-standards based cyberinfrastructures
Improvements of the UltraScan scientific gateway to enable computational jobs on large-scale and open-standards based cyberinfrastructures
复制标题
改进 UltraScan 科学网关，以实现大规模和基于开放标准的网络基础设施上的计算作业
DOI：
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发表时间：
2013
期刊：
影响因子：
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通讯作者：
Morris Riedel
中科院分区：
文献类型：
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作者：
Shahbaz Memon;N. Attig;Gary Gorbet;Lahiru Gunathilake;Morris Riedel;T. Lippert;S. Marru;A. Grimshaw;F. Janetzko;B. Demeler;Raminder Singh;Morris Riedel
Ultrascan数据分析应用程序是一个软件包，能够利用计算资源，以支持分析性超速离心（AUC）实验的解释。自2006年以来，研究生物学和合成分子的溶液特性的科学家在Teragrid中已将Ultrascanific Gateway与普通的Web浏览器一起使用。与其他应用程序不同，Ultrascan是在网关体系结构上实施的，并利用超级计算的功能从实验数据中提取非常高的分辨率信息。在这项贡献中，我们将重点关注超大科学网关的几种改进，这些进步使标准化的工作提交和管理能够为计算资源，同时保留其轻量级设计，以免打扰其最终用户的既定工作流程。本文进一步介绍了建筑设计的演练，包括在欧洲的Ultrascan的一个真正的安装部署。目的是提供证据证明公开标准的附加值和互操作性的附加值，不仅使美国网络基础设施中提供的资源提交超大型申请，并提交了极限科学与工程发现环境（XSEDE），还可以向欧洲及其周围的类似基础设施提交。世界。在我们的方法中，使用Apache Airavata框架用于科学网关具有对其他几个科学网关产生影响的潜力。
The UltraScan data analysis application is a software package that is able to take advantage of computational resources in order to support the interpretation of analytical ultracentrifugation (AUC) experiments. Since 2006, the UltraScan scientific gateway has been used with ordinary Web browsers in TeraGrid by scientists studying the solution properties of biological and synthetic molecules. Unlike other applications, UltraScan is implemented on a gateway architecture and leverages the power of supercomputing to extract very high resolution information from the experimental data. In this contribution, we will focus on several improvements of the UltraScan scientific gateway that enable a standardized job submission and management to computational resources while retaining its lightweight design in order to not disturb the established workflows of its end-users. This paper further presents a walkthrough of the architectural design including one real installation deployment of UltraScan in Europe. The aim is to provide evidence for the added value of open standards and resulting interoperability enabling not only UltraScan application submissions to resources offered in the US cyber infrastructure Extreme Science and Engineering Discovery Environment (XSEDE), but also submissions to similar infrastructures in Europe and around the world. The use of the Apache Airavata framework for scientific gateways within our approach bears the potential to have an impact on several other scientific gateways too.