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Author Topic: Parallel TransmissionSpectrum?  (Read 3534 times)

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Offline asanchez

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Parallel TransmissionSpectrum?
« on: October 27, 2015, 17:25 »
I thought I'd read something about ATK 2015 being able to parallelise TransmissionSpectrum calculations beyond the number of k-points / energy points? Now I can't find it so maybe I'm wrong.

In a calculation with a kpoint grid of (1,1), can one parallelise across more than energy points? e.g. If I'm calculating just the fermi level, can I parallelise that?

Thanks in advance
« Last Edit: October 29, 2015, 01:25 by asanchez »
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Offline asanchez

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Re: Parallel TransmissionSpectrum?
« Reply #1 on: October 29, 2015, 01:52 »
Got it to parallelise via threading anyway (mkl presumably). Was probably doing something wrong before.
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Offline Anders Blom

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Re: Parallel TransmissionSpectrum?
« Reply #2 on: October 29, 2015, 04:47 »
Yeah, no, there is no parallelization for single k-point/energy. Normally you always have multiple of either, and that gives linear scaling in parallel. And a single point is usually very fast anyway. Threading gives some effect, yes.
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