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Parallel TransmissionSpectrum?
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Topic: Parallel TransmissionSpectrum? (Read 3422 times)
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asanchez
Heavy QuantumATK user
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Parallel TransmissionSpectrum?
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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
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Last Edit: October 29, 2015, 01:25 by asanchez
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asanchez
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Re: Parallel TransmissionSpectrum?
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October 29, 2015, 01:52 »
Got it to parallelise via threading anyway (mkl presumably). Was probably doing something wrong before.
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Anders Blom
QuantumATK Staff
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Re: Parallel TransmissionSpectrum?
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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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Parallel TransmissionSpectrum?