mirror of https://gitlab.com/QEF/q-e.git
62 lines
1.6 KiB
Fortran
62 lines
1.6 KiB
Fortran
!
|
|
! Copyright (C) 2001-2005 Quantum ESPRESSO group
|
|
! This file is distributed under the terms of the
|
|
! GNU General Public License. See the file `License'
|
|
! in the root directory of the present distribution,
|
|
! or http://www.gnu.org/copyleft/gpl.txt .
|
|
!
|
|
!
|
|
!----------------------------------------------------------------------------
|
|
SUBROUTINE stop_run( flag )
|
|
!----------------------------------------------------------------------------
|
|
!
|
|
! ... Close all files and synchronize processes before stopping.
|
|
!
|
|
USE io_global, ONLY : stdout, ionode
|
|
USE control_flags, ONLY : lpath, lconstrain, lcoarsegrained, &
|
|
program_name
|
|
USE io_files, ONLY : prefix
|
|
USE environment, ONLY : environment_end
|
|
USE path_variables, ONLY : path_deallocation
|
|
USE path_io_routines, ONLY : io_path_stop
|
|
USE constraints_module, ONLY : deallocate_constraint
|
|
USE metadyn_vars, ONLY : deallocate_metadyn_vars
|
|
USE mp, ONLY : mp_barrier, mp_end
|
|
USE reciprocal_vectors, ONLY : mill_g
|
|
!
|
|
IMPLICIT NONE
|
|
!
|
|
LOGICAL, INTENT(IN) :: flag
|
|
LOGICAL :: exst
|
|
!
|
|
!
|
|
CALL environment_end( program_name )
|
|
!
|
|
IF ( lpath ) CALL io_path_stop()
|
|
!
|
|
CALL deallocate_modules_var()
|
|
!
|
|
IF ( lconstrain ) CALL deallocate_constraint()
|
|
!
|
|
IF ( lcoarsegrained ) CALL deallocate_metadyn_vars()
|
|
!
|
|
IF ( lpath ) CALL path_deallocation()
|
|
!
|
|
if( allocated( mill_g ) ) deallocate( mill_g )
|
|
|
|
CALL mp_barrier()
|
|
!
|
|
CALL mp_end()
|
|
!
|
|
IF ( flag ) THEN
|
|
!
|
|
STOP
|
|
!
|
|
ELSE
|
|
!
|
|
STOP 1
|
|
!
|
|
END IF
|
|
!
|
|
END SUBROUTINE stop_run
|