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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