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

[Yanyan Zhang]

I am sorry, I am a new to use google group, maybe I have send you many 
email by private, please ignore them.

So the RAM is 16GB*24~~~~~382GB
And I want to do AIMD simulation(deposit atoms on the surface, the surface 
is 20nm* 20nm)

在2021年6月10日星期四 UTC+8 下午10:18:55<sc... at gmail.com> 写道：

> 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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