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arXiv · 2205.01991

MateriApps LIVE! and MateriApps Installer: Environment for starting and scaling up materials science simulations

Yuichi Motoyama·Kazuyoshi Yoshimi·Takeo Kato·Synge Todo
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Abstract

In our current era, numerical simulations have become indispensable theoretical and experimental tools for use in daily research activities, particularly in the materials science fields. However, the installation processes for such simulations frequently become problematic because they depend strongly on the device environment, and troubleshooting those processes is a challenging task for beginners. To minimize such difficulties, we created MateriApps LIVE! and MateriApps Installer, which can solve most of the related issues. Specifically, MateriApps LIVE! offers a virtual environment in which users can quickly try out computational materials science simulations on a personal computer while MateriApps Installer provides a comprehensive set of shell scripts for use when installing software on Unix, Linux, macOS, and supercomputer systems. Herein, we provide detailed descriptions of MateriApps LIVE! and MateriApps Installer together with illustrative examples of their use.

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Yuichi Motoyama, Kazuyoshi Yoshimi, Takeo Kato, Synge Todo. 2022-05-04. MateriApps LIVE! and MateriApps Installer: Environment for starting and scaling up materials science simulations. https://doi.org/10.1016/j.softx.2022.101210

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