[Wien] lapw2para -qtl -c -p -band problem

Michael Gurnett michael.gurnett at kau.se
Mon Apr 11 09:40:14 CEST 2005


Hello

First of all, sorry for the repost but I didn't get reply last time and I'm a bit confused.

My problem is that tht within tasks: bandstructure, lapw2 is not getting sent to the nodes. When I run standard scf this works fine. I have been reading the mailing list and noticed that previously there may have been a problem when the amount of jobs changed. During the standard SCF I have 12 k points and this is distributed amongst 6 nodes equally. When I run bandstructure I have 109 k points in the klist so this is distributed over 7 jobs (18 points over 6 nodes followed by a single point over the fastest computer). When I the run lapw2cpara -qtl -c -p band testpara2 reports that the junks are distributed over 6 nodes (100 percent), but only the server is showing any work and only lapw2.def is created. Also the cpu usage is running very irradict (seen using "top"). I checked the version of lapw2para we says 1.10, so I guess that either no changes in the revision number have been made or lapw2para is never updated (which I doubt). I'm running the latest version of the Wien2k code on a linux cluster. I've tried running in completely new folders, but the problem still remains. 

I would really apreciate some form of help on this problem. 

Michael
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