[CP2K-user] [CP2K:17208] CPASSERT error in reftraj MD

scott...@gmail.com scottkit85 at gmail.com
Wed Jun 22 14:26:50 UTC 2022


Dear CP2K user,

I am trying to run single point calculation based on my input trajectory 
using reftraj function but having error that cannot fix it.

CPASSERT failed motion/integrator.F:1546

It seems the error triggered from MOTION / REFTRAJ section but I cannot 
spot any input error. (May be i did some error that I don't know !)

Hopefully I can get some advices.

Rgds
Alfred

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