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Re: Is computational speed of TDDFT calculations affected drastically by hyperthreading?

Alex Granovsky


Normally, you should only use two processes on Core i3 CPU.
There are some specific jobs that can run faster with four
logical cores but this does not apply to tddft.

Kind regards,
Alex Granovsky

On Wed Aug 12 '15 9:22am, Siddheshwar Chopra wrote
>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.


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