hessian calculation

sandeep kuma... at gmail.com
Fri Jul 27 18:33:25 CEST 2012


Dear all,
             I want to do a hessian calculation for a system containing 360 
atoms. I submitted this on 160 processors. After running for 24 hrs also, 
it didn't show much progress.(it didn't finish in atleast one direction)

Is this calculation very expensive compared to geometry optimization ? Can 
anybody tell me do i need to use to run this job faster?

(I used default values in cp2k)

Thanks & Regards,
Sandeep





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