Storage Systems for I/O-Intensive Applications in Computational Chemistry

Matthias Neuer (), Christian Mosch (), Jürgen Salk (), Karsten Siegmund (), Volodymyr Kushnarenko (), Stefan Kombrink (), Thomas Nau () and Stefan Wesner ()
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Matthias Neuer: Ulm University
Christian Mosch: Ulm University
Jürgen Salk: Ulm University
Karsten Siegmund: Ulm University
Volodymyr Kushnarenko: Ulm University
Stefan Kombrink: Ulm University
Thomas Nau: Ulm University
Stefan Wesner: Ulm University

A chapter in Sustained Simulation Performance 2015, 2015, pp 51-60 from Springer

Abstract: Abstract Many programs in computational quantum chemistry need a fast storage system capable of serving more than 10,000 I/O operations per second while also being large enough to store the temporary files created by these applications. A good solution which fulfills both requirements is a hybrid approach consisting of a large network storage and small but very fast local SSDs. It was found that off-the-shelf SSD-based caching strategies did not perform satisfactorily for the applications investigated in this study. A better result can be achieved by concatenating the two storage systems via a RAID or even better via LVM. After taking care about the creation of the logical volume and the layout of the file system we could obtain 75 % of the performance gain of an SSD by using only 50 % SSD storage.

Date: 2015
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DOI: 10.1007/978-3-319-20340-9_5

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