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Just Got Here

7:52:25 AM PDT - Fri, Aug 17th 2018

EOM-IP/EA-CCSD UNKNOWN ERROR "There is a bug in the program"

Hi there,

So I just ran a EOM-IP-CCSD calculation for a diazine monomer (all the IP and EA calculations worked for the dimer up to the tetramer).
The symmetry was assigned by NWCHEM as D2h and it managed to converge the IPs for 6 irreps but then the program crashes with the message 'There is a bug in the program'. This message repeats itself over and over again until this starts repeating instead:

For further details see manual section:

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No section for this category

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there is a bug in the program                   0

 current input line :

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    0:

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This error has not yet been assigned to a category

 current input line :

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    0:

For more information see the NWChem manual at

http://nwchemgit.github.io/index.php/NWChem_Documentation

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For further details see manual section:

This error has not yet been assigned to a category

No section for this category

Any ideas?

Cheers,
Isabelle