RSPRED: EIGENVALUE EQUATION NOT CONVERGED

[marpet]

Dear all,

I am calculating 80 states in one photon spectrum and I am obtaining the following message:

Code: Select all

WARNING: EIGENVALUE PROBLEM NOT CONVERGED

  --- SEVERE ERROR, PROGRAM WILL BE ABORTED ---
     Date and time (Linux)  : Sun Feb  1 04:48:48 2015
     Host name              : backend2

@ MPI MASTER, node no.:     0
@ Reason:  RSPRED: EIGENVALUE EQUATION NOT CONVERGED

 >>>> Total CPU  time used in DALTON:  37 hours 16 minutes 44 seconds
 >>>> Total wall time used in DALTON:  37 hours 21 minutes 52 seconds


 QTRACE dump of internal trace stack

 ========================
      level    module
 ========================
          5    RSPRED
          4    RSPCTL
          3    RSPDRV
          2    DALTON
          1    DALTON main
 ========================

I tried the calculation with different values of MAXRM, MAX IT and MAXITO, but I keep obtaining the same message. At MAXRM=1000 and default values of MAX IT and MAXITO, I get the message:

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MICROITERATIONS STOPPED BEFORE CONVERGENCE BECAUSE
     	MAXIMUM DIMENSION OF REDUCED SPACE 1000 EXCEEDED.