Error while using GENNBO6 for large molecules

Error while using GENNBO6 for large molecules

Postby ayushnarsaria » Fri Jan 22, 2016 5:25 am

Hello Everyone. I am very new to NBO usage.
I am using GENNBO6 for nalaysing second order perturbation calculations but I always get an error while I run the FILE47 generated by ADFNBO. It works well for the small moelcules but I not for the large ones like ~ 100 atoms.

The error is:

/home/v01/adf2013.01/bin/gennbo6: line 281: 45010 Killed "$PROG" "$@"

I checked the line 281 on FILE47 but there isn't any ambiguity there.
It would be great if you can provide some help here.
ayushnarsaria
 
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