Molcas Forum

Mohammed Obies AL-Nafee

Member

Registered: 2022-03-08

Posts: 2

The ONEINT file does not exist

Hi,

I am trying to run GASSCF calculations using the following input, but I got the error saying (The ONEINT file does not exist ). I would appreciate any help?

&RASSCF
nActEl
6 0 0
FROZen
0 0 0 0
INACTIVE
32 13 21 21
GASSCF
2
 1 0 1 0
2 2
 1 1 1 1
4 4
DELEted
 0 0 0 0
end of input

Th output is:

                 Location: OpnOne                                                     ###
 ###                                                                         ###
 ###                                                                         ###
 ###    The ONEINT file does not exist                                       ###
 ###                                                                         ###
 ###                                                                         ###
 ###############################################################################
 ###############################################################################
--- Stop Module: rasscf at Thu Mar 17 07:58:45 2022 /rc=_RC_FLOATING_EXCEPTION_ ---
*** files: xmldump
    saved to directory /data/chem-metal-wire-transport/lina2773/mo2ru2/mo2/cas

Ignacio

Administrator

From: Uppsala

Registered: 2015-11-03

Posts: 1,085

Re: The ONEINT file does not exist

Did you run SEWARD first?