NOT Enough Core Space

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Please upload an output file showing the problem, if applicable.
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texan35
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NOT Enough Core Space

Post by texan35 » 19 Sep 2015, 20:44

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.
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DALTON.OUT
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arnfinn
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Re: NOT Enough Core Space

Post by arnfinn » 19 Sep 2015, 21:24

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:

Code: Select all

**DALTON INPUT                                    
.RUN RESPONSE
.DIRECT

texan35
Posts: 2
Joined: 18 Sep 2015, 15:52
First name(s): ihsan
Last name(s): uluturk
Affiliation: Texas A and M University
Country: United States

Re: NOT Enough Core Space

Post by texan35 » 21 Sep 2015, 16:26

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.

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