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

[Praveen Kumar]

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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