无需承诺的高性能计算:SC2IT:使非专业人员可以使用计算科学的云计算接口

K. Jorissen, W. Johnson, F. Vila, J. Rehr
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引用次数: 7

摘要

计算工作是许多科学研究的重要组成部分。特别是在材料科学研究中,通常需要理论模型来理解测量。目前,有双重障碍阻碍了大量研究人员使用最先进的材料科学代码:软件通常缺乏用户友好性,硬件要求可能需要大量投资,例如购买贝奥武夫集群。科学云计算有可能消除这一障碍,使更多非计算专家的科学家能够接触到计算科学。我们提供了一组接口工具SC2IT,它可以无缝地控制Amazon EC2云中的虚拟计算集群,并被设计为嵌入到用户友好的Java gui中。我们介绍了我们的科学云计算方法在材料科学代码FEFF9, WIEN2k和MEEP-mpi中的应用。SC2IT和这里描述的范例适用于当前云计算能力范围内材料科学以外的其他研究领域。
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High-performance computing without commitment: SC2IT: A cloud computing interface that makes computational science available to non-specialists
Computational work is a vital part of many scientific studies. In materials science research in particular, theoretical models are often needed to understand measurements. There is currently a double barrier that keeps a broad class of researchers from using state-of-the-art materials science codes: the software typically lacks user-friendliness, and the hardware requirements can demand a significant investment, e.g. the purchase of a Beowulf cluster. Scientific Cloud Computing has the potential to remove this barrier and make computational science accessible to a wider class of scientists who are not computational specialists. We present a set of interface tools, SC2IT, that enables seamless control of virtual compute clusters in the Amazon EC2 cloud and is designed to be embedded in user-friendly Java GUIs. We present applications of our Scientific Cloud Computing method to the materials science codes FEFF9, WIEN2k, and MEEP-mpi. SC2IT and the paradigm described here are applicable to other fields of research outside materials science within current Cloud Computing capability.
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