[Wien] wien in parallel mode is slower than serial mode

Florent Boucher Florent.Boucher at cnrs-imn.fr
Fri Dec 21 09:11:01 CET 2007


Please Nilton,
consider my previous remark and generate a larger test case.
The parallel version, if you use k-point parallelization, have a linear 
scaling (assuming that your computer does not have trouble with memory 
band width).
In your case, lapw2 being slower than lapw1 means that your disk access 
perform badly.

Why don't you generate a larger case, is it so complicated ?

My opinion is to use parallel calculations if you win something. 
Changing from 4hours to 1 hours by running on 4 nodes instead of 1 is 
efficient, but running on 15s instead of 60s... I am not sure it is and 
furthermore, I'm not sure it will justify the time that people will 
spend to answer your question.
Regards
Florent


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