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Is computational speed of TDDFT calculations affected drastically by hyperthreading?

Siddheshwar Chopra
sidhusai@gmail.com


Dear Users,
I am running TDDFT calcs. using i3 processor (4 threadds). I noticed some variations/ reduction in computational speeds on this system (for TDDFT jobs) when I used all the four threads.
Could someone explain this? Are the TDDFT job speeds significantly affected by multithreading? Or should I just use one thread? Any help would be welcomed.
I think the i3 has two physical cores. Please suggest appropriate configuration for running these kind of jobs.

Regards,


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