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Introduction to High-Performance Computing

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High Performance Computing for Drug Discovery and Biomedicine

Part of the book series: Methods in Molecular Biology ((MIMB,volume 2716))

Abstract

Since the first general-purpose computing machines came up in the middle of the twentieth century, computer science’s popularity has been growing steadily until our time. The first computers represented a significant leap forward in automating calculations, so that several theoretical methods could be taken from paper into practice. The continuous need for increased computing capacity made computers evolve and become more and more powerful. Nowadays, high-performance computing (HPC) is a crucial component of scientific and technological advancement. This book chapter introduces the field of HPC, covering key concepts and essential terminology to understand this complex and rapidly evolving area. The chapter begins with an overview of what HPC is and how it differs from conventional computing. It then explores the various components and configurations of supercomputers, including shared memory systems, distributed memory systems, and hybrid systems and the different programming models used in HPC, including message passing, shared memory, and data parallelism. Finally, the chapter discusses significant challenges and future directions in supercomputing. Overall, this chapter provides a comprehensive introduction to the world of HPC and is an essential resource for anyone interested in this fascinating field.

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Correspondence to Marco Verdicchio .

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© 2024 The Author(s), under exclusive license to Springer Science+Business Media, LLC, part of Springer Nature

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Verdicchio, M., Teijeiro Barjas, C. (2024). Introduction to High-Performance Computing. In: Heifetz, A. (eds) High Performance Computing for Drug Discovery and Biomedicine. Methods in Molecular Biology, vol 2716. Humana, New York, NY. https://doi.org/10.1007/978-1-0716-3449-3_2

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  • DOI: https://doi.org/10.1007/978-1-0716-3449-3_2

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  • Publisher Name: Humana, New York, NY

  • Print ISBN: 978-1-0716-3448-6

  • Online ISBN: 978-1-0716-3449-3

  • eBook Packages: Springer Protocols

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