Hi,
I'm running a code in nwchem to get some BSSE_energy with 6-31g basis set and m06-2x xc functional.
But after running for few hours nwchem is getting suspended. No output is coming out of it.
Running it in batch, so can't see where it is getting freeze.
Is this be any sort of memory issue ? I'm currently doing no special memory allocation, just going with the default.