[CP2K-user] What is the correlation between computer's memory and the number of atoms

[Yanyan Zhang]

And if I run cp2k-8.2(GPU version), it report error " CUDA FFT1 Error 
(CUFFT_INTERNAL_ERROR)  "

Could anyone help me and give some advices?

在2021年6月10日星期四 UTC+8 下午3:33:42<Yanyan Zhang> 写道：

> Hi All
>
> I use cp2k to simulate 80000 atoms, but it reports error: cannot allocate 
> memory. Maybe my computer's memory (24*16GB) isn't enough.
> So I want to know the correlation between computer's memory and the number 
> of atoms. 
>
>
> Thanks in advance and regards
>
> Yanyan
>
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