Journal of Computer Chemistry, Japan
Online ISSN : 1347-3824
Print ISSN : 1347-1767
ISSN-L : 1347-1767
Letters (Selected Paper)
Development Status of ABINIT-MP in 2021
Yuji MOCHIZUKITatsuya NAKANOShinya SATOKota SAKAKURAHiromasa WATANABEKoji OKUWAKISatoshi OHSHIMATakahiro KATAGIRI
Author information
JOURNAL FREE ACCESS FULL-TEXT HTML

2021 Volume 20 Issue 4 Pages 132-136

Details
Abstract

We have been developing the ABINIT-MP program for fragment molecular orbital (FMO) calculations over 20 years. In 2021, the Open Version 2 series has started for large scale systems consisting of more than ten thousand fragments. This letter describes the current status of ABINIT-MP, including the speed-up as well as the situation of distributions over supercomputing facilities in Japan.

Fullsize Image
Content from these authors
© 2021 Society of Computer Chemistry, Japan
Previous article Next article
feedback
Top