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:
: 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.
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