[CPMD-list] Parallelization on k-points

Audrius Alkauskas audrius.alkauskas at unibas.ch
Sat Jul 5 15:31:06 CEST 2003


Hello

We have a new cluster here in Basel, and I began running big jobs of 
Ag(111) surface. I noticed that each k-point is done in serial. Would it 
make a difference to do each of, let's say, 8 different k-points on a 
different node? Is it difficult to implement? Would there be any time 
economy or not?


Audrius Alkauskas





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