Author Topic: How to reduce memory usage  (Read 2157 times)

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Online dmicje12

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How to reduce memory usage
« on: October 2, 2024, 14:44 »
Hello!
I am currently calculating a structure with 229 atoms in the central region with spin orbit coupling.
My server have 96 cores 512G ram
The MPI setting number of  processors is 64.
When atk calculates the central region, the memory usage will be insufficient.
Besides turning off SOC, is there any other way to reduce memory usage?
Thanks!

Offline Anders Blom

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Re: How to reduce memory usage
« Reply #1 on: October 8, 2024, 19:43 »
229 atoms is not a lot, but when you use MPI parallelization the memory duplication can be quite large. So the main suggestion is to reduce MPI and use more threading.

Online dmicje12

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Re: How to reduce memory usage
« Reply #2 on: October 18, 2024, 06:17 »
229 atoms is not a lot, but when you use MPI parallelization the memory duplication can be quite large. So the main suggestion is to reduce MPI and use more threading.

It works!
Thanks for reply!