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

[Nikhil Maroli]

How much RAM you have and what kind of simulation you are doing? 

On Thursday, June 10, 2021 at 5:50:42 PM UTC+5:30 ya... at gmail.com wrote:

> 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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