Memory Consumption of AIMD Calculations

[Matt W]

Hi,

I think something must be wrong with your installation. That job should 
only need ~1 GB of RAM (total across cores) to run.

Matt

On Thursday, August 17, 2017 at 1:49:22 PM UTC+1, Ozan Dernek wrote:
>
> Dear All,
>
> I am a beginner level cp2k user. To learn the software, I am reproducing 
> the calculations given in the exercises section of the website, and my 
> question is about one of the ab initio MD examples. (the input and .xyz 
> files are attached to this mail.)
>
> When I run the input on 4 cores, the system is giving memory error and 
> does not even start the run. In the system I am using, each node has 28 
> cores ( Intel(R) Xeon(R) CPU E5-2680 v4 @ 2.40GHz ) and 128 GB RAM, which 
> is shared by the 28 cores. I know the system is small, but I want to test 
> the capability of my system.
>
> So, I have two questions concerning this problem: 
>
> 1. What are the biggest memory consuming cards/parameters in this 
> calculation ?
> 2. Are there are any tricks/ways to reduce the memory consumption  ?
>
> Thank you in advance, 
>
> Ozan Dernek
> PhD Student
> Physics Department
> Middle East Technical University
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20170817/534a2ebb/attachment.htm>