Re: Stuck CASPT2 Calculation

Posted by Oscar on June 19, 2013 at 12:48:01:

In Reply to: Re: Stuck CASPT2 Calculation posted by Valera on June 19, 2013 at 12:09:39:

Hi Valera,

: How mach physical RAM do you have on the computer? and what is MOLCASMEM?

I am using 128GB RAM (max. I can), but not working.
setenv MOLCASMEM 132000
setenv MOLCASDISK 204799
setenv CPUS 1

Thank you for your suggestion.