Which gaussian version is suitable for old system

moiumuio · 发表于 Post on 2024-3-7 12:16:21

I am going to install gaussian on new system in my lab, however, it's an old system with dual cpu of 2450v2 and it's very slow. So I have a question that does G16 A03 version require much more computational effort than g09 E01 or just a little?Thanks in advance

sobereva · 发表于 Post on 2024-3-7 12:27:40

The default setting of G16 is more expensive than G09, mostly because by default the former uses int=ultrafine while the latter uses int=fine. If you add int=fine or g09defaults keyword in G16, the computational cost will be basically the same.

moiumuio · 发表于 Post on 2024-3-7 14:47:47

sobereva 发表于 2024-3-7 12:27
The default setting of G16 more expensive than G09, mostly because by default the former uses int=ul ...

Thank you for your answer prof.. Further question, when I use g09defaults keyword in g16, should I mention that I use g16 or g09.

cokie · 发表于 Post on 2024-3-7 15:14:10

moiumuio 发表于 2024-3-7 14:47
Thank you for your answer prof.. Further question, when I use g09defaults keyword in g16, should I ...

G16, and state that you used g09defaults keyword in tasks.

moiumuio · 发表于 Post on 2024-3-7 16:26:16

cokie 发表于 2024-3-7 15:14
G16, and state that you used g09defaults keyword in tasks.

thank you for your answer

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[Gaussian/gview] Which gaussian version is suitable for old system