somebody please help me.
i get a system error like:
internal error: XML_INCAR called with a vector, use XML_INCAR_V instead LORBIT
anytime i set LORBIT=11 and submit a pbs file on SGI machine on 16 procesors.
am i missing any library?
thanks alot in advance.
internal error: use XML_INCAR_V instead LORBIT
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internal error: use XML_INCAR_V instead LORBIT
Last edited by yilmaz on Wed Nov 23, 2005 1:51 am, edited 1 time in total.
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internal error: use XML_INCAR_V instead LORBIT
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 after
! read in LORBIT in vasp.4.6.X)
LORBIT_=.FALSE.
LORBIT=0
CALL RDATAB(LOPEN,'INCAR',IU5,'LORBIT','=','#',';','L', &
& IDUM,RDUM,CDUM,LORBIT_,CHARAC,N,1,IERR)
IF (IERR==5) THEN
CALL RDATAB(LOPEN,'INCAR',IU5,'LORBIT','=','#',';','I', &
& LORBIT,RDUM,CDUM,LDUM,CHARAC,N,1,IERR)
ELSE
IF (LORBIT_) LORBIT=5
ENDIF
IF (((IERR/=0).AND.(IERR/=3)).OR. &
& ((IERR==0).AND.(N=0) &
WRITE(IU0,*)'Error reading item ''LORBIT'' from file INCAR.'
GOTO 150
ENDIF
!TEST!!!!!
WRITE(*,*) N
!TEST!!!!
CALL XML_INCAR('LORBIT','L',IDUM,RDUM,CDUM,LORBIT_,CHARAC,N)
The problematic call is XML_INCAR. Insert the indicated lines (!TEST!!!),
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.
The relevant lines are located in reader.F:
(lines after
! read in LORBIT in vasp.4.6.X)
LORBIT_=.FALSE.
LORBIT=0
CALL RDATAB(LOPEN,'INCAR',IU5,'LORBIT','=','#',';','L', &
& IDUM,RDUM,CDUM,LORBIT_,CHARAC,N,1,IERR)
IF (IERR==5) THEN
CALL RDATAB(LOPEN,'INCAR',IU5,'LORBIT','=','#',';','I', &
& LORBIT,RDUM,CDUM,LDUM,CHARAC,N,1,IERR)
ELSE
IF (LORBIT_) LORBIT=5
ENDIF
IF (((IERR/=0).AND.(IERR/=3)).OR. &
& ((IERR==0).AND.(N=0) &
WRITE(IU0,*)'Error reading item ''LORBIT'' from file INCAR.'
GOTO 150
ENDIF
!TEST!!!!!
WRITE(*,*) N
!TEST!!!!
CALL XML_INCAR('LORBIT','L',IDUM,RDUM,CDUM,LORBIT_,CHARAC,N)
The problematic call is XML_INCAR. Insert the indicated lines (!TEST!!!),
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 Wed Nov 23, 2005 3:00 pm, edited 1 time in total.
internal error: use XML_INCAR_V instead LORBIT
I am receiving exactly the same message when I use LORBIT = 10 or 11 and HSE functional in vasp 5.3.3.
I tried to debug inserting the lines above and it looks like N = 2, from my output:
Then I looked for the RDATAB routine and found it in the rdatb.F file in the lib directory. I tried to compile just this file using 00 and also no optimization flag at all (mpiifort 12.1.0.233 from Intel composer xe_2011_sp1.6.233) and it looks ok until the linking, when i receive this message:
Any clue?
<span class='smallblacktext'>[ Edited Thu Mar 07 2013, 11:00PM ]</span>
I tried to debug inserting the lines above and it looks like N = 2, from my output:
Code: Select all
2
?internal?error:?XML_INCAR?called?with?a?vector,?use?XML_INCAR_V?instead?LORBIT?
Code: Select all
main.o:?In?function?`vamp':
/home/a.c.padilha/sources/vasp.5.3.3/vasp.5.3/main.f90:607:?undefined?reference?to?`rdatab_'
/home/a.c.padilha/sources/vasp.5.3.3/vasp.5.3/main.f90:2222:?undefined?reference?to?`rdatab_'
/home/a.c.padilha/sources/vasp.5.3.3/vasp.5.3/main.f90:2235:?undefined?reference?to?`rdatab_'
/home/a.c.padilha/sources/vasp.5.3.3/vasp.5.3/main.f90:2611:?undefined?reference?to?`rdatab_'
main_mpi.o:?In?function?`main_mpi_mp_init_mpi_':
main_mpi.f90:(.text+0x155):?undefined?reference?to?`rdatab_'
main_mpi.o:main_mpi.f90:(.text+0x450):?more?undefined?references?to?`rdatab_'?follow
make:?**?[vasp]?Erro?1
<span class='smallblacktext'>[ Edited Thu Mar 07 2013, 11:00PM ]</span>
Last edited by apadilha on Thu Mar 07, 2013 5:30 am, edited 1 time in total.