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64bit addressing mode of VASP on IBM power4!

Posted: Mon Nov 28, 2005 11:15 am
by admin
ERROR: XML_INCAR .... should be called .....:
These errors do not occur on any of our machines (even the HP-UX box),

I fear you will have to do some debugging to figure out the reason for
the error.
The relevant lines are located in reader.F:
(lines 80 ff in vasp.4.6.21)

ISTART=1
! ... of course if 'WAVECAR' doesnt exist --> take ISTART=0 ...
IF (.NOT.LFOUND) ISTART=0
CALL RDATAB(LOPEN,'INCAR',IU5,'ISTART','=','#',';','I', &
& ISTART,RDUM,CDUM,LDUM,CHARAC,N,1,IERR)
IF (((IERR/=0).AND.(IERR/=3)).OR. &
& ((IERR==0).AND.(N=0) &
WRITE(IU0,*)'Error reading item ''ISTART'' from file INCAR.'
GOTO 150
ENDIF
!test
WRITE(*,*) N
!test
CALL XML_INCAR('ISTART','I',ISTART,RDUM,CDUM,LDUM,CHARAC,N)

The problematic call is XML_INCAR. Insert the indicated lines, recompile and
run the code. N should be 1 or 0. If this is not the case the compiler has
incorrectly compiled RDATAB (vasp.4.lib/rdatab.X). If it is 0 or 1, it is most likely the module
xml.F that was not correctly compiled. Try to decrease the
optimisation for the problematic routines in the makefile and recompile again.