[molpro-user] How to restart CCSD(T) jobs?

[Vera Cathrine]

Dear Everybody,

I am running some UCCSD(T) computations. Our cluster wall-time is not enough to terminate the jobs normally. So I like to run them in a way to be able follow my job by restart from  the last UCCSD iteration and saving the time. I have specified the file 1 and 2 as following:


file,1,a.int,new
file,2,a.wfn,new

From the manual I understand that I have to remove the new to restart the job. But it seems that this is not enough for CCSD(T) jobs and they are running from the scratch. What are the other directives which I have to specify to be able to use RESTART directive for rerunning my jobs?

Thanks in advance for your help.

Best wishes,
Vera
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