[Wien] x xspec runtime error

Gavin Abo gsabo at crimson.ua.edu
Wed Sep 7 02:04:17 CEST 2011


Dear Dr. Blaha and Wien2k users,

When running x xspec, I get the error shown below.  It looks like there 
is an infinite loop from lines 170 to 180 in txspec.f that causes an 
array index to go out of the upper bound, but I don't have much Fortran 
experience.  Should there be a condition (IEMAX?) and break or jump 
statement to get out of the "1 CONTINUE" and "goto 1" loop from line 170 
and 180?

forrt1: severe (408): fort: (2): Subscript #1 of the array ENE has value 
771 which is greater than the upper bound 770

Image              PC                             
Routine                      Line        Source
...
txspec             0000000000423085  MAIN__                    
176          txspec.f
...

 >   stop error txspec xspec.def
...

*Lines from file txspec.f in SRC_txspec.f*

Line 170:
      I=0
  1    CONTINUE
         i=i+1
         IF (LC.EQ.0) then
           READ(32,4713,END=2,ERR=913) ENE(i),DOS(i,1),DOS(i,3)
         ELSE
           READ(32,4713,END=2,ERR=913) ENE(i),DOS(i,1),DOS(i,2),DOS(i,3)
         ENDIF
       goto 1
  2    CONTINUE
:Line 180

Thanks,

Gavin
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