VASP CPU选择求助

Mando · 发表于 Post on 2025-10-16 20:53:14

Hello, I'm new to DFT calculations and would like some advice. For calculations with fewer than 60 atoms, would an R9 9955HX or an i9 14900HX on a laptop with 32GB of RAM be better? A desktop or high-performance computing (HPC) might not be feasible.

MIOSAMA · 发表于 Post on 2025-10-17 10:42:44

i9 series is not a desirable choice, as it has P/E cores, which will cause scheduling problems. Also 14th had some black history about the stability.

Mando · 发表于 Post on 2025-10-17 11:59:29

MIOSAMA 发表于 2025-10-17 10:42
i9 series is not a desirable choice, as it has P/E cores, which will cause scheduling problems. Also ...

Thank you very much, then i will consider R9

tonganlhy · 发表于 Post on 2025-10-17 13:32:50

If a small desktop is feasible (like a small box), AMD ai395+ max with 128gb memory would be the best. Or you could try ai395+ max laptop.

Mando · 发表于 Post on 2025-10-18 08:29:25

tonganlhy 发表于 2025-10-17 13:32
If a small desktop is feasible (like a small box), AMD ai395+ max with 128gb memory would be the bes ...

I have searched for AIMAX+395 AMD but it's more expensive than R9 9955hx, i am confined by budget. Thank you very much for the advice.

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[配置讨论] VASP CPU选择求助

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