The MEMORY consumption of HYBRID-DFT calculation of periodic system

Rizwan Nabi rizwan... at gmail.com
Fri May 27 05:36:36 UTC 2016


Hi everyone: 

I am trying Hybrid-DFT for a condensed with xy periodic conditions, on a 
cluster of 1 node with the memory of  64GB/core and 16 processors/node.   

I tried with an example given in the QS section of cp2k-3.0 for water 
molecule but I am getting following error.


  HFX_MEM_INFO| Est. max. program size before HFX [MiB]:                   
  144


Regards

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