mirror of https://gitlab.com/QEF/q-e.git
Pseudopotential file wasn't closed after an unsuccesfull attempt to read,
leading to an error when debug flags are activated
This commit is contained in:
parent
e0b24e8376
commit
d5c91fbaca
|
@ -189,7 +189,7 @@ SUBROUTINE readpp ( input_dft, printout, ecutwfc_pp, ecutrho_pp )
|
|||
!
|
||||
ELSE
|
||||
!
|
||||
OPEN ( UNIT = iunps, FILE = TRIM(file_pseudo), STATUS = 'old', FORM = 'formatted' )
|
||||
OPEN ( UNIT = iunps, FILE = file_pseudo, STATUS = 'old', FORM = 'formatted' )
|
||||
!
|
||||
! The type of the pseudopotential is determined by the file name:
|
||||
! *.xml or *.XML UPF format with schema pp_format=0
|
||||
|
|
|
@ -55,6 +55,7 @@ CONTAINS
|
|||
end if
|
||||
end if
|
||||
if ( ierr /= 0 .and. ierr /= -2 ) then
|
||||
call xml_closefile( )
|
||||
ierr = -81
|
||||
return
|
||||
end if
|
||||
|
|
Loading…
Reference in New Issue