Can I restart a VIBRATIONAL_ANALYSIS from a break point?

Bin Gu gub... at
Tue Mar 22 03:41:36 UTC 2016

Dear all: 

I underestimated the run time of the VIBRATIONAL_ANALYSIS task, and the 
process was killed by the PBS system. 

It is quit time consuming. So, the questions is: can I restart it from a 
break point? 
It seems no restart file is generated, but there are several  restart WFN 
files on each replica. 

Thanks for any experience and suggestion. 


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <>

More information about the CP2K-user mailing list