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NOT Enough Core Space

Posted: 19 Sep 2015, 20:44
by texan35
I am trying to run ECD calculations and keep getting "not enough core space for sorting"". Attached is my DALTON.OUT file. Any help appreciated.

Re: NOT Enough Core Space

Posted: 19 Sep 2015, 21:24
by arnfinn
You might try to run with .DIRECT, as written in the output:

Code: Select all

Reason: SIRFCK2: nonzero HFXMU requires .DIRECT calculation.
Thus, the first three lines in your dal-file should be:

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**DALTON INPUT                                    
.RUN RESPONSE
.DIRECT

Re: NOT Enough Core Space

Posted: 21 Sep 2015, 16:26
by texan35
Thanks for your response Arnfinn. It seems like it is running fine. I am newbie to Dalton so excuse my easy questions. Is there any way how to figure out how much time and memory required to get the job done.