Bug in the Kerker mixing

Matt W MattWa... at gmail.com
Fri Feb 20 09:13:01 UTC 2015


Kerker mixing works for me in the c8_broy_gapw_all_xashh.inp example in 
regtest-gapw-1 (I change the Broyden mixing to Kerker mixing in the input 

I think the segfault is more likely indicating that your executable is not 
correctly compiled. Can you run the regtests?

You could also download a precompiled executable from the website and test 
whether that worked for your input.


On Thursday, February 19, 2015 at 3:49:09 PM UTC, Ali Akbari wrote:
> Hi, 
> I have noticed that the Kereker mixing does not work any longer in the XAS 
> calculation and produces the following message.
> * Program received signal SIGSEGV: Segmentation fault - invalid memory 
> reference.*
> I have tested different versions of CP2K and this bug appears in versions 
> of 2.5 and 2.6.
> Best,
> Ali
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