[CPMD-list] Questions: CPMD make warning & run anomally(?)

[John Kofi Dogbe]

Dear Dr. Axel,

Problem persists.

On Sun, 20 Mar 2005, Axel Kohlmeyer wrote:

> JK> > JKD> PROGRAM STOPS IN SUBROUTINE FILEOPEN| UNKNOWN FILE STATUS
> JK> > JKD> 999
> JK> >

>
> hmmmm. weird. please try the attached version of fileopen.F instead.
> there have not been many changes to tht code recently...
> if it still does not work, please send me your preprocessed fileopen.f
> file, your input file and the version of the compiler you are using.
>

Please find attached the file(s) you requested.
The input is your tutorial input file for ammonia (geometry
optimization) using the vanderbilt uspp.
I'm using the intel fortran compiler ... the following is the result of
ifort -V:

Intel(R) Fortran Compiler for Intel(R) EM64T-based applications, Version 8.1
Build 20050203 Package ID: l_fce_pc_8.1.025
Copyright (C) 1985-2005 Intel Corporation.  All rights reserved.
FOR NON-COMMERCIAL USE ONLY

Thank you.
John
--
**The first is not necessarily the Leader**

	"If I have spoken evil, bear witness of the evil:
		but if well, why smitest thou me?"
				-- Jesus Christ (John, 18:23)
-------------- next part --------------
C     ==================================================================
      SUBROUTINE FILEOPEN(IUNIT,FILEN,STATUS)
      IMPLICIT NONE
C     Arguments
      INTEGER   IUNIT
      CHARACTER FILEN*(*),STATUS*(*)
      INTEGER   IA, IE
C     ==--------------------------------------------------------------==
      CALL XSTRING(FILEN, IA, IE)
      IF(INDEX(STATUS,'NEW').NE.0) THEN
C       New File
        OPEN(UNIT=IUNIT,FILE=FILEN(IA:IE),STATUS='NEW')
      ELSEIF(INDEX(STATUS,'UNKNOWN').NE.0) THEN
C       Unknown status
        OPEN(UNIT=IUNIT,FILE=FILEN(IA:IE),STATUS='UNKNOWN')
      ELSEIF(INDEX(STATUS,'OLD').NE.0) THEN
C       Old file (append).


        OPEN(UNIT=IUNIT,FILE=FILEN(IA:IE),STATUS='OLD' POSITION='APPEND')


      ELSE
        CALL STOPGM('FILEOPEN','UNKNOWN FILE STATUS')
      ENDIF
C     ==--------------------------------------------------------------==
      RETURN
      END
C     ==================================================================