[DFTB-Plus-User] run dftb+ in serial

Robin Shannon robin.shannon at bristol.ac.uk
Mon Aug 14 12:54:43 CEST 2017


Im running DFTB+ for some small jobs and only need i processor. I would like to run in serial on my cluster but due to pbs wait times it would be much more efficient for me to run on one processor only. Is there an input option to specify this. I suppose I can do this at compilation stage but this feels sub-optimal.

Any advice much appreciated


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