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QuantumATK => General Questions and Answers => Topic started by: nicolapelagalli on April 11, 2019, 17:30

Title: Dynamical Matrix study object: Phonons in bulk silicon
Post by: nicolapelagalli 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.

Title: Re: Dynamical Matrix study object: Phonons in bulk silicon
Post by: mlee 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. 

Title: Re: Dynamical Matrix study object: Phonons in bulk silicon
Post by: nicolapelagalli 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...

Title: Re: Dynamical Matrix study object: Phonons in bulk silicon
Post by: mlee on April 12, 2019, 10:49

Do you use Job manager? You can edit the number of processors or threads of your machine.

Title: Re: Dynamical Matrix study object: Phonons in bulk silicon
Post by: nicolapelagalli on April 12, 2019, 11:59

Yes, I use it. I'll give a try as soon as possible.
Thank you again.