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本帖最后由 David_R 于 2025-7-28 21:21 编辑
I have run the occasional ORCA calculation, and some CPU/GPU-intensive workflows on my laptop. It's an Asus ProArt PX13, with a 12-core Ryzen 9 HX 370 CPU, 32 GB RAM, and RTX4050 GPU.
It works fine for relatively small systems (<100 atoms). In fact, it's pretty fast; core-for-core it's on par with server grade hardware from just a few years ago. If you just want to learn and run the occasional calculation on a computer you use mainly for other tasks, laptops can still competently run quantum chemical calculations. Sometimes I want to prototype some workflows while I'm traveling, and modern laptop hardware is really quite amazing these days, far more powerful than the huge power-hungry desktop PCs I used to build when I was younger!
However, they are not at all suitable as dedicated machines for running larger-scale projects - heat dissipation and RAM being the main limitations. You can purchase a much more powerful dedicated computer for the same money. |
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发表于 Post on 2025-7-28 16:11:47
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