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Code S1 - Performance Analysis of Electronic Structure Codes on HPC Systems: A Case Study of SIESTA

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Figshare2015-12-02 更新2026-04-29 收录
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https://figshare.com/articles/dataset/_Performance_Analysis_of_Electronic_Structure_Codes_on_HPC_Systems_A_Case_Study_of_SIESTA_/1073705
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资源简介:
Bash script for calculating SIESTA timing estimates. These are based on the fits to the data presented in the paper. Instructions for using the script are included as a comment at the start of the code. The script is also available as a web applet [47]. (TXT)
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2015-12-02
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