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Dynamical Matrix study object: Phonons in bulk silicon
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Topic: Dynamical Matrix study object: Phonons in bulk silicon (Read 4485 times)
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nicolapelagalli
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Dynamical Matrix study object: Phonons in bulk silicon
«
on:
April 11, 2019, 17:30 »
Dear QuantumATK staff,
we are following this tutorial:
https://docs.quantumatk.com/tutorials/dynamical_matrix/dynamical_matrix.html
.
We attached py file and log file with the error we get, do you have any suggestion?
Thanks.
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mlee
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Re: Dynamical Matrix study object: Phonons in bulk silicon
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Reply #1 on:
April 12, 2019, 09:28 »
It seems related to the parallel process in your server. When I tested it in
https://docs.quantumatk.com/tutorials/dynamical_matrix/dynamical_matrix.html
using the 2018.06-SP1 and P-2019.03 in my laptop using 1 cpu, it was successfully finished within 10 seconds.
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nicolapelagalli
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Re: Dynamical Matrix study object: Phonons in bulk silicon
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Reply #2 on:
April 12, 2019, 10:05 »
Thank you very much, this was giving me several problems. Do you know how I should solve this issue? Sottry, I'm not an expert about processes excetera...
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mlee
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Re: Dynamical Matrix study object: Phonons in bulk silicon
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Reply #3 on:
April 12, 2019, 10:49 »
Do you use Job manager? You can edit the number of processors or threads of your machine.
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nicolapelagalli
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Re: Dynamical Matrix study object: Phonons in bulk silicon
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Reply #4 on:
April 12, 2019, 11:59 »
Yes, I use it. I'll give a try as soon as possible.
Thank you again.
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Dynamical Matrix study object: Phonons in bulk silicon