[CP2K-user] DFTB hangs when using more than one node

Ryan .Jadrich rjad... at gmail.com
Wed May 1 20:52:54 UTC 2019

Currently, I am utilizing non-SCC DFTB on a super-computing resource and it 
simply hangs when I have more than one node allocated. I am performing DFTB 
calculations along with full DFT calculations (which are working fine on 
any number of nodes), thus the need to utilize more than one node with 
DFTB. Does anyone know of some obvious reason why this might happen, as I 
have virtually no info for debugging? If not, I will keep trying things. 
Thanks in advance for the help!


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