So, my understanding of the situation is that lapw1 may create .vector files that are larger than the amount of memory needed by the lapw1 step. At the lapw2 step, the program must handle these files with less memory than needed, hence these physical / cached unefficient readings. This sounds annoying, as one cannot immediately detect the memory need for the case, from a try with the beginning of a scf cycle, as I use to do.
_______________________________________________
Wien mailing list
[email protected]
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/[email protected]/index.html

Reply via email to