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

Fuente: arXiv
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Main Authors: Motoyama, Yuichi, Yoshimi, Kazuyoshi, Kato, Takeo, Todo, Synge
Format: Preprint
Published: 2022
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author Motoyama, Yuichi
Yoshimi, Kazuyoshi
Kato, Takeo
Todo, Synge
author_facet Motoyama, Yuichi
Yoshimi, Kazuyoshi
Kato, Takeo
Todo, Synge
contents 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.
format Preprint
id arxiv_https___arxiv_org_abs_2205_01991
institution arXiv
publishDate 2022
record_format arxiv
spellingShingle MateriApps LIVE! and MateriApps Installer: Environment for starting and scaling up materials science simulations
Motoyama, Yuichi
Yoshimi, Kazuyoshi
Kato, Takeo
Todo, Synge
Computational Physics
Materials Science
Strongly Correlated Electrons
Physics Education
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.
title MateriApps LIVE! and MateriApps Installer: Environment for starting and scaling up materials science simulations
topic Computational Physics
Materials Science
Strongly Correlated Electrons
Physics Education
url https://arxiv.org/abs/2205.01991