internal error: use XML_INCAR_V instead LORBIT

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


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
yilmaz
Newbie
Newbie
Posts: 18
Joined: Wed Aug 10, 2005 7:56 pm
License Nr.: jk35QGB7
Location: puerto rico

internal error: use XML_INCAR_V instead LORBIT

#1 Post by yilmaz » Wed Nov 23, 2005 1:51 am

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.
Last edited by yilmaz on Wed Nov 23, 2005 1:51 am, edited 1 time in total.

admin
Administrator
Administrator
Posts: 2921
Joined: Tue Aug 03, 2004 8:18 am
License Nr.: 458

internal error: use XML_INCAR_V instead LORBIT

#2 Post by admin » Wed Nov 23, 2005 3:00 pm

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.
Last edited by admin on Wed Nov 23, 2005 3:00 pm, edited 1 time in total.

apadilha

internal error: use XML_INCAR_V instead LORBIT

#3 Post by apadilha » Thu Mar 07, 2013 5:30 am

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:

Code: Select all

2
?internal?error:?XML_INCAR?called?with?a?vector,?use?XML_INCAR_V?instead?LORBIT?
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:

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
Any clue?
<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.

Post Reply