[Wien] engel vosko in lapw0

Michael Gurnett michael.gurnett at kau.se
Sat Oct 28 09:31:28 CEST 2006


Asked this a couple of days ago, but never got an answer, so I'd thought
I'd try again. What I really would like to know is what is there in the
EV-GGA code that requires a huge amount of memory usage at the final
part of lapw0. Memory consumption is pretty much the same the first 27
minutes as regular GGA. However, at about this time memory requirements
go up to about 3.7 Gb for lapw0 causing it do rely on swap space. The
last "4 minutes" of lapw0 end up taking about 3 hrs. Is it a known fact
that EV is more memory hungry.

Michael 


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