#1 Fri Oct 21, 2016 4:53 pm
Registered: Jul 2016
I used RASCI2 to calculate two ethylenes system, and then the program stopped without any error message.
It stopped at this line 'About to start construct sigma rs update sigma rs iterations'.
The submitted file recorded this 'glibc dected', I google it and it seems the pointer problem (?) but I don't know how to solve it.
Following is my input :
Thanks for your time.
#2 Fri Dec 09, 2016 2:07 pm
Registered: Oct 2012
If you haven't noticed already, I believe your input file is wrong.
It should be "RAS_ACT_DIFF 0" since your system is two closed shell ethylene molecules. (See examples in qchem manual)
Unless you have an anionic or cationic system - I can't tell without your $molecule section.