[ADF-LIST] Reaxff performance, system size vs. core

Praveen Kumar pravink068 at gmail.com
Thu Sep 21 08:26:36 CEST 2017

Hi,

I want to know the performance of Reaxff in ADF. How many atoms can I
choose for Reaxff simulation (Maximum limit) and what will be the required
number of cores? How much time will this job take to finish?

Does anybody have this performance graph? Any suggestion will be helpful.




Regards
PRAVEEN KUMAR
Research scholar
INDIAN INSTITUTE OF SCIENCE
EDUCATION AND RESEARCH PUNE, India
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