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OpenMX parallelization
Date: 2024/11/13 16:04
Name: Jose

Dear Developers,

How is the parallelization process in OpenMX performed? Is it per k-point, atomic, SCF calculation, orbital, or etc?
What are the processes being parallelized during the DFT calculation process?
How to set the number of MPI process and OpenMP thread for hybrid parallelization?

Thanks
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Re: OpenMX parallelization ( No.1 )
Date: 2024/11/13 19:08
Name: Naoya Yamaguchi

Hi,

>How is the parallelization process in OpenMX performed? Is it per k-point, atomic, SCF calculation, orbital, or etc?
>What are the processes being parallelized during the DFT calculation process?

Please refer to https://www.openmx-square.org/openmx_man3.9/node79.html

>How to set the number of MPI process and OpenMP thread for hybrid parallelization?

https://www.openmx-square.org/openmx_man3.9/node85.html

Regards,
Naoya Yamagcuhi
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