issues with M06-2X dispersion / aug-cc-pVTZ optimization


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some warnings
Hello Edo,

After putting the memory statement, it seems working, however, I got a couple of warning (instead of error) messages:

1: WARNING:armci_set_mem_offset: offset changed -13701120 to 75640832
3: WARNING:armci_set_mem_offset: offset changed -86839296 to 2502656

Should I simply ignore them?

Thank you!

Best,
Yue

Quote:Edoapra Feb 4th 8:30 pm
Yue
Your job is running out of memory, therefore you need to increase the memory beyond the default settings of your NWChem installation.

Please put the following memory line at the beginning of your input file

memory stack 1000 mb heap 100 mb global 500 mb

Cheers, Edo