Molcas Forum

cymantren

Member

Registered: 2017-09-18

Posts: 37

"ERROR: Read error during input preprocessing"

Hello everybody,

I try to calculate the Rasscf-energy of a system,after a oprimization, however it fails:
--------------------

 "ERROR: Read error during input preprocessing" 
 " ERROR:  Failure reading after INACTIVE keyword"
  Error exit 9920 from PROC_INP.
 ###############################################################################
 ###############################################################################
 ###                                                                         ###
 ###                                                                         ###
 ###    ERROR: Input processing failed.                                      ###
 ###                                    
------------------
RASSCF Error: Proc_Inp failed unexpectedly.
  Check the output file for any previous messages
  that can help explain the failure.

  Here is a printing of the input file that
  was processed:

 &RASSCF                                                                         
 SPIN                                                                            
 4                                                                               
 NACTEL                                                                          
 7,0,0                                                                           
 INACT                                                                           
 12                                                                              
 RAS2                                                                            
 6                                                                               
 CIROOT                                                                          
 3,3,1                                                                           
 LUMORB                                                                          
 RLXROOT                                                                         
 1                                                                               
 End of input   

---------------------------------------------

The input for the Rasscf-optimization part, is the same as for the Rasscf-energy calculation.
----------------------

 &GATEWAY
coord = SCB2_optvib_quart_RASSCF-6.Opt.xyz
GROUP = Full
TITLE = RASSCF-Energy of ScB2  
BASIS = cc-pVDZ
 &SEWARD
 &RASSCF
SPIN   = 4
NACTEL = 7,0,0
INACT  = 12
RAS2   = 6
CIROOT = 3,3,1
LUMORB
RLXROOT = 1
 &GRID_IT
ALL

----------------------

I don't see any mistake in the input, but something is still not correct.
Please help me to find out the mistake.

Thank you in advance !

Alfred

Ignacio

Administrator

From: Uppsala

Registered: 2015-11-03

Posts: 1,085

Re: "ERROR: Read error during input preprocessing"

Maybe there is some invisible character, or a problem with DOS/Unix line endings.