error ival=5


Click here for full thread
Clicked A Few Times
Hi Edo,

Not at this stage. The failure is happening before the Hartree-Fock calculations even starts.


I hope 12 atoms and 194 basis functions doesn't test memory limits. I spec'd total 3600 mb per process, which should be much more than needed here (perhaps not for the follow-up CCSD(T), however).

Thanks; Chris