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more bugfix 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9048 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
paulatto 2012-06-01 13:13:03 +00:00
parent 0ea3209d43
commit 85819f8733
1 changed files with 13 additions and 10 deletions
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23
PHonon/PH/dfile_autoname.f90
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@ -41,14 +41,14 @@ FUNCTION open_dfile_directory(basename, prefix)
INTEGER :: open_dfile_directory
INTEGER :: ios
CHARACTER(len=256) :: filename
LOGICAL :: exst
! LOGICAL :: exst
!
filename = dfile_directory_file(basename, prefix)
! print*, "opening dir:", TRIM(filename)
!print*, "opening dir:", TRIM(filename)
open_dfile_directory = find_free_unit()
!
INQUIRE( FILE = TRIM(filename), EXIST = exst )
IF(.not.exst) print*, "does not exist: >",TRIM(filename),"<"
! INQUIRE( FILE = TRIM(filename), EXIST = exst )
!IF(.not.exst) print*, "does not exist: >",TRIM(filename),"<"
#ifdef __XLF
OPEN(UNIT = open_dfile_directory, &
ACCESS= 'sequential', &
@ -63,7 +63,6 @@ FUNCTION open_dfile_directory(basename, prefix)
#endif
!
IF(ios/=0) CALL errore('open_dfile_directory','Cannot open: '//TRIM(filename),ABS(ios))
write(6,*) 'ios=',ios
!
RETURN
!----------------------------------------------------------------------
@ -179,7 +178,7 @@ FUNCTION dfile_name(xq, at, name, prefix, generate, equiv)
ENDIF
!
! Make up a new name
dfile_name = dfile_generate_name(xq, at, basename)
dfile_name = TRIM(dfile_generate_name(xq, at, basename))
!
! Append the new name to the list
iunit = open_dfile_directory(basename, prefix)
@ -202,8 +201,8 @@ SUBROUTINE dfile_get_qlist(xqs, nqs, name, prefix)
USE io_global, ONLY : ionode
IMPLICIT NONE
! input variables:
INTEGER,INTENT(in) :: nqs ! max number of points
REAL(DP),INTENT(out) :: xqs(3,nqs)! the q point in cartesian axes
INTEGER,INTENT(in) :: nqs ! max number of points
REAL(DP),INTENT(out) :: xqs(3,nqs) ! the q point in cartesian axes
CHARACTER(len=*),INTENT(in) :: prefix ! directory where to operate
CHARACTER(len=*),INTENT(in) :: name ! input fildrho
!
@ -226,8 +225,8 @@ SUBROUTINE dfile_get_qlist(xqs, nqs, name, prefix)
ENDIF
!
iunit = open_dfile_directory(basename, prefix)
REWIND(iunit)
!
rewind(iunit)
GET_Q_LOOP : &
DO iq = 1,nqs
READ(iunit,*,iostat=ios) xqs(:,iq)
@ -236,7 +235,9 @@ SUBROUTINE dfile_get_qlist(xqs, nqs, name, prefix)
ENDIF
ENDDO &
GET_Q_LOOP
!
CLOSE(iunit)
!
RETURN
!----------------------------------------------------------------------
END SUBROUTINE dfile_get_qlist
@ -263,6 +264,8 @@ FUNCTION dfile_generate_name(xq, at, name)
WRITE(dfile_generate_name, '(a,".",a,"_",a,"_",a)') TRIM(name), &
TRIM(real2frac(aq(1))), TRIM(real2frac(aq(2))), TRIM(real2frac(aq(3)))
!
dfile_generate_name = TRIM(dfile_generate_name)
!
RETURN
!
!----------------------------------------------------------------------