CCL: NBO+ECP GAMESS error



 Sent to CCL by: Victor Rosas Garcia [rosas.victor],[gmail.com]
 Hello everybody,
 I am trying to run a Natural Energy Decomposition Analysis on an
 RHF/LANL2DZdp wavefunction using GAMESS VERSION = 25 MAR 2010 (R2)
 but the job crashes.  The smallest case I have found that reproduces
 the error is as follows:
  $CONTRL SCFTYP=RHF RUNTYP=ENERGY COORD=ZMT NOSYM=1 $END
  $CONTRL UNITS=ANGS PP=READ EXETYP=RUN $END
  $INTGRL NOPK=1 $END
  $BASIS EXTFIL=.TRUE. GBASIS=LANL2DZD $END
  $NBO $END
  $DEL NEDA END
       NEDA (1,2) (3) END
  $END
  $DATA
 LiCl..H2O...rhf/lanl2dzdp
 C1
  LI
  CL   1   2.0993427
  O    1   1.9020655   2 
 179.9605863
  H    3    .9500458   1 
 126.3708465  2  178.7919157
  H    3    .9500458   4 
 107.2871778  1 -179.9941078
  $END
  $ECP
   NONE
   CL-ECP GEN   10   2
   5           -----
 d  
 potential           
 -----
        
 -10.0000000       
 1            
 94.8130000
         
 66.2729170       
 2            165.6440000
        
 -28.9685950       
 2            
 30.8317000
        
 -12.8663370       
 2            
 10.5841000
         
 -1.7102170       
 2             
 3.7704000
   5           ----- s-d
 potential           
 -----
          
 3.0000000       
 0            128.8391000
         
 12.8528510       
 1            120.3786000
        
 275.6723980       
 2            
 63.5622000
        
 115.6777120       
 2            
 18.0695000
         
 35.0606090       
 2             
 3.8142000
   6           ----- p-d
 potential           
 -----
          
 5.0000000       
 0            216.5263000
          
 7.4794860       
 1            
 46.5723000
        
 613.0320000       
 2            147.4685000
        
 280.8006850       
 2            
 48.9869000
        
 107.8788240       
 2            
 13.2096000
         
 15.3439560       
 2             
 3.1831000
   NONE
   NONE
   NONE
  $END
 which is basically an example from the NBO manual modified to use the
 LANL2DZdp basis set.  If I use the 6-31G* basis set, no problem.  The
 job fails with the following error message:
  --------------
   Fragment  1:
  --------------
           ECP ANGULAR
 INTS.........     0.00 SECONDS
  *** ERROR *** IN -DAWRIT- ROUTINE ON NODE   0
  DAWRIT HAS REQUESTED A RECORD WITH LENGTH DIFFERENT THAN BEFORE - ABORT
 FORCED.
  DAF RECORD    92 NEW LENGTH
 =         0 OLD LENGTH
 =       162
  EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Mon Oct 25 08:16:00 2010
       580000  WORDS OF DYNAMIC MEMORY USED
  STEP CPU TIME =     0.00 TOTAL CPU TIME
 =        1.1 (    0.0 MIN)
  TOTAL WALL CLOCK TIME=        1.4
 SECONDS, CPU UTILIZATION IS  82.22%
  ddikick.x: application process 0 quit unexpectedly.
  ddikick.x: Sending kill signal to DDI processes.
  ddikick.x: Execution terminated due to error(s).
 so the NBO analysis has no problem, it fails only on reaching the NEDA
 part.  Looking through the CCL archives, I found a message from 2002
 (http://ftp.ccl.net/chemistry/resources/messages/2002/05/27.005-dir/index.html)
 with an almost identical problem, but I have not located any responses
 to it.
 Any ideas?
 Victor