Molcas Forum

rizwan

Member

Registered: 2016-08-26

Posts: 6

Error while executing RASSI calculaton in Molcas version v8.0.15-06-1

Dear all users and developers,
I am new to molcas and do not have much idea regarding molcas calculations, while doing some calculations i got following error in the RASSI step. Can anybody please help me how to fix the issue? Your help and guidance will be highly appreciated.

--- Start Module: rassi at Tue May 30 21:26:10 2017


()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()
                                  MOLCAS executing module RASSI with 84000 MB of memory
                                              at 21:26:11 Tue May 30 2017
()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()()


 ###############################################################################
 ###############################################################################
 ###                                                                         ###
 ###                                                                         ###
 ###    RASSI found too few JobIph files.                                    ###
 ###                                                                         ###
 ###                                                                         ###
 ###############################################################################
 ###############################################################################
--- Stop Module:  rassi at Tue May 30 21:26:12 2017 /rc= _INTERNAL_ERROR_ ---
         Some internal inconsistency of the code was detected

Non-zero return code - check program input/output--- Stop Module:  auto at Tue May 30 21:27:51 2017 /rc= _INTERNAL_ERROR_ ------ Module auto spent 6 minutes and 19 seconds~
~

Ignacio

Administrator

From: Uppsala

Registered: 2015-11-03

Posts: 1,201

Re: Error while executing RASSI calculaton in Molcas version v8.0.15-06-1

You need to specify JobIph files with RASSI. Check the keywords NrOfJobIph and IphNames.