MULTI calculation

[behnam nikoobakht]

Dear Molpro developers,

I want to perform a MULTI calculation for IO2 molecule. I want to use a full valence, complete active space self-consistent field in my calculation. As you know, the molpro output can determine the full valence CAS. Thus, one can find  the corresponding inputs for the  OCC and closed options for using in the input files. I run two inputs. The first one has multi with OCC and closed options. The second one has only multi (or casscf) option. Both calculations use the full valence CAS. In one of the output files (see the attachment), where I specified the MULTI with OCC and closed options, I get an error. For this calculation, I used the full valence information for OCC and closed options which I got from the result of SCF calculation (see the output file in the attachment).However, if I simply use the casscf or multi (without using OCC and closed options), the calculation using the full  valence CAS is terminated normally.

I would expect to get the same result when I run these two calculations. One of the calculations is terminated normally while the other one is ended with the error. Any comments or a possible way to fix the error regarding the above issue would be appreciated.