Purpose

The Institute for Solid State Physics (ISSP) at the University of Tokyo started a project for advancement of software usability in materials science (PASUMS) in April 2015 to promote the use of the ISSP supercomputer. In order to cope with the increasing complexity and sophistication of parallel computing, PASUMS will focus on programs that are particularly important in the field of condensed matter physics and are expected to be used on the ISSP supercomputer. By creating an environment that enables users to perform advanced parallel computations more easily, we hope to provide highly usable computing resources that enable rapid prediction of new phenomena and verification with experimental results.

 

Project flow

　 Each year, ISSP invites applications for the program, and the Joint Usage Committee selects a few programs after reviewing the applications. The selected projects will develop and upgrade the software over a period of about one year under the following project structure. In addition to the development of the software, the upgrading support will also include the preparation of documentation, support for the dissemination of the software (e.g., installation on the ISSP supercomputer and posting on the ISSP webpage), and the execution of test calculations on the ISSP supercomputer. We plan to report the results of the development on the web page of the PASUMS team.

Handling of project products

　 The produces of this project are released under the General Public License (GPL) in principle. Therefore, the results can be used not only on the ISSP supercomputer but also on various computing resources, and are expected to contribute to the development of the entire condensed matter physics community through this project. The University of Tokyo holds the copyright of the new functions and parts developed through this project as the project deliverables. See “5. Is it possible to set a license for the products other than the General Public License (GPL) license?” for the reasons why we set the GPL as a license of PASUMS products.

Presentation of project results (writing papers)

　PASUMS team will take the lead in writing papers on the newly developed parts of this project. In addition, if the proposers and collaborators agree, we are considering writing a joint paper on software in general.

About credit

　If the proposer or research collaborator makes a research presentation related to a newly developed part of this project, please add an acknowledgement of the software development and enhancement team:
yyyy is developed under the support of “Project for advancement of software usability in materials science” in fiscal year xxxx by The Institute for Solid State Physics, The University of Tokyo.
(yyyy is the version number of the feature or software, and xxxx is the year in which the project was selected as a PASUMS project)