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EOM-CCSD Single point does not run #21

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lambrw91 opened this issue Sep 26, 2017 · 1 comment
Open

EOM-CCSD Single point does not run #21

lambrw91 opened this issue Sep 26, 2017 · 1 comment

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@lambrw91
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formaldehyde-eom-test.zip
Trying to learn how to setup files for QChem so I'm using IQmol to assist.
I set up an EOM-CCSD single point for formaldehyde. The SCF finishes, but the EOM doesn't go anywhere. There also does not appear to be an error printed in the output file. Attached are the files generated from IQMol.

@ZQyou
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ZQyou commented Sep 26, 2017

Thank you for reporting this issue. I found there is a confusion about CC job memory limitation on IQmol server. I am working on the fix. To proceed your practice, the workaround is to set MEM_TOTAL to 1200 in the input section.

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