64bit addressing mode of VASP on IBM power4!

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.


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64bit addressing mode of VASP on IBM power4!

#1 Post by admin » Mon Nov 28, 2005 11:15 am

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.
Last edited by admin on Mon Nov 28, 2005 11:15 am, edited 1 time in total.

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