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Resource Requirements for RASPA2 and RASPA3: CPU, RAM, and Scalability #30

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GregorLauter opened this issue Jan 23, 2025 · 1 comment

GregorLauter commented Jan 23, 2025

Hi,

I’m trying to determine the resources to request on HPC systems for running RASPA2 and RASPA3 simulations and would appreciate some guidance:

Are there any benchmarks available for recommended CPU cores and RAM needed for efficient performance?
At what point do diminishing returns start showing ?
How strongly do the CPU and memory requirements scale with the size of the system being simulated?

Thank you for your help!

Best regards,
Gregor

Member

dubbelda commented Jan 23, 2025

The code is serial, so just one core needed per job, and the memory requirements are very, very modest.

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