mirror of https://gitlab.com/QEF/q-e.git
62 lines
1.8 KiB
Fortran
62 lines
1.8 KiB
Fortran
!
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! Copyright (C) 2001-2003 PWSCF group
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! This file is distributed under the terms of the
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! GNU General Public License. See the file `License'
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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!----------------------------------------------------------------------------
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SUBROUTINE close_files()
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!----------------------------------------------------------------------------
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!
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! ... Close all files and synchronize processes for a new scf calculation.
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!
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USE ldaU, ONLY : lda_plus_u
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USE control_flags, ONLY : twfcollect, io_level
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USE io_files, ONLY : prefix, iunwfc, iunigk, iunat, iunsat
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USE buffers, ONLY : close_buffer
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USE mp_global, ONLY : intra_image_comm
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USE mp, ONLY : mp_barrier
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!
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IMPLICIT NONE
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!
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LOGICAL :: opnd
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! ... close buffer/file containing wavefunctions: discard if
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! ... wavefunctions are written in xml format, save otherwise
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!
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IF ( twfcollect .OR. io_level < 0 ) THEN
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CALL close_buffer ( iunwfc, 'DELETE' )
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ELSE
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CALL close_buffer ( iunwfc, 'KEEP' )
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END IF
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!
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! ... iunigk is kept open during the execution - close and remove
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!
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INQUIRE( UNIT = iunigk, OPENED = opnd )
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IF ( opnd ) CLOSE( UNIT = iunigk, STATUS = 'DELETE' )
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!
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! ... iunat contains the (orthogonalized) atomic wfcs
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! ... iunsat contains the (orthogonalized) atomic wfcs * S
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!
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IF ( lda_plus_u ) THEN
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!
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INQUIRE( UNIT = iunat, OPENED = opnd )
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IF ( opnd ) CLOSE( UNIT = iunat, STATUS = 'KEEP' )
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INQUIRE( UNIT = iunsat, OPENED = opnd )
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IF ( opnd ) CLOSE( UNIT = iunsat, STATUS = 'KEEP' )
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!
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END IF
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!
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CALL mp_barrier( intra_image_comm )
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!
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#if defined (__T3E)
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!
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! ... set streambuffers off
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!
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CALL set_d_stream( 0 )
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#endif
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!
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RETURN
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!
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END SUBROUTINE close_files
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