error prevents reusing two-e integ. files for rasscf?

Posted by Dalal Kanan on July 01, 2011 at 15:54:16:

Hello Molcas Developers,
I am using version 7.4 patchlevel 054
I have run a seward and casscf calculation. Then I want to reuse the two-electron integral files that were generated by seward in another casscf calculation, but I get the following error:
**************************************
**************************************
*** Location: *** get_iScalar *** Data not defined System BitSwitch ***********************************
--- Stop Module: rasscf at Sun Jun 26 14:19:55 2011 /rc= _INTERNAL_ERROR_ ---

Some internal inconsistency of the code was detected

Can someone please help?

I must say I am adding an external potential to the Hamiltonian that the code reads and evaluates in the AO basis set.
Thank you.

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: Hello Molcas Developers, : I am using version 7.4 patchlevel 054 : I have run a seward and casscf calculation. Then I want to reuse the two-electron integral files that were generated by seward in another casscf calculation, but I get the following error: : ************************************** : ************************************** : *** Location: *** get_iScalar *** Data not defined System BitSwitch *********************************** : --- Stop Module: rasscf at Sun Jun 26 14:19:55 2011 /rc= _INTERNAL_ERROR_ --- : Some internal inconsistency of the code was detected : Can someone please help? : I must say I am adding an external potential to the Hamiltonian that the code reads and evaluates in the AO basis set. : Thank you.

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