Abstract
Nowadays, the wide spectrum of Intel Xeon processors is available. The new Zen CPU architecture developed by AMD has extended the number of options for x86_64 HPC hardware. This large number of options makes the optimal CPU choice for HPC systems not a straightforward procedure. Such a co-design procedure should follow the requests from the end-users community. Modern computational materials science studies are among the major consumers of HPC resources worldwide. The VASP code is perhaps the most popular tool for these research. In this work, we discuss the benchmark metric and results based on a VASP test model that give us the possibility to compare different CPUs and to select best options with respect to time-to-solution and energy-to-solution criteria.
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Acknowledgments
The authors are grateful to Dr. Maciej Cytowski and Dr. Jacek Peichota (ICM, University of Warsaw) for the data on the VASP benchmark [22].
The authors acknowledge Joint Supercomputer Centre of Russian Academy of Sciences (http://www.jscc.ru) and Shared Resource Center “Far Eastern Computing Resource” IACP FEB RAS (http://cc.dvo.ru) for the access to the supercomputers MVS10P, MVS1P5 and IRUS17.
The work was supported by the grant No. 14-50-00124 of the Russian Science Foundation. A part of the equipment used in this work was purchased with financial support of HSE and using the President of Russian Federation grant for young researchers MD-9451.2016.8.
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Stegailov, V., Vecher, V. (2017). Efficiency Analysis of Intel and AMD x86_64 Architectures for Ab Initio Calculations: A Case Study of VASP. In: Voevodin, V., Sobolev, S. (eds) Supercomputing. RuSCDays 2017. Communications in Computer and Information Science, vol 793. Springer, Cham. https://doi.org/10.1007/978-3-319-71255-0_35
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