Author Topic: Dynamical Matrix study object: Phonons in bulk silicon  (Read 156 times)

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Offline nicolapelagalli

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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.

Offline mlee

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Re: Dynamical Matrix study object: Phonons in bulk silicon
« 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. 

Offline nicolapelagalli

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Re: Dynamical Matrix study object: Phonons in bulk silicon
« 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...

Offline mlee

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Re: Dynamical Matrix study object: Phonons in bulk silicon
« 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.

Offline nicolapelagalli

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Re: Dynamical Matrix study object: Phonons in bulk silicon
« Reply #4 on: April 12, 2019, 11:59 »
Yes, I use it. I'll give a try as soon as possible.
Thank you again.