[CPMD-list] slow GLOSUM subroutine

[Xevi Biarnés (PCB)]

I am experiencing a lot of elapsed time on subroutine GLOSUM  (upto 15 times
CPU time)

 

I run CPMD version 3.9.1 on a 115 atoms system (LSD calculation) ==> 358124
PW

 

I run on a IBM distributed memory machine (96 processors) with a myrinet
network. System administrators tell me that there are no network problems


 

Did anybody experience something similar?

 

any ideas? solutions?

 

yet another related question
 from version 3.11.1, is it possible that
elapsed time is incorporated to CPU time? I say this, because I find both
times suspiciously very similar!!

 

thank you!

 

 

Xevi  =o)

 

 

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