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Update read_namelists.f90

This commit is contained in:
Sasha Fonari 2020-06-05 09:59:04 -04:00
parent 81b4ebc56a
commit f88832e709
1 changed files with 28 additions and 50 deletions
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78
Modules/read_namelists.f90
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@ -397,7 +397,7 @@ MODULE read_namelists_module
diago_thr_init = 0.0_DP
diago_cg_maxiter = 20
diago_ppcg_maxiter = 20
diago_david_ndim = 4
diago_david_ndim = 2
diago_full_acc = .FALSE.
!
sic = 'none'
@ -1866,7 +1866,6 @@ MODULE read_namelists_module
CHARACTER(LEN=2) :: prog
INTEGER :: ios
INTEGER :: unit_loc=5
LOGICAL :: required, success
!
! ... end of declarations
!
@ -1895,7 +1894,7 @@ MODULE read_namelists_module
IF( ionode ) THEN
READ( unit_loc, control, iostat = ios )
END IF
success = check_namelist_read(ios, unit_loc, "control")
CALL check_namelist_read(ios, unit_loc, "control")
!
CALL control_bcast( )
CALL control_checkin( prog )
@ -1911,7 +1910,7 @@ MODULE read_namelists_module
IF( ionode ) THEN
READ( unit_loc, system, iostat = ios )
END IF
success = check_namelist_read(ios, unit_loc, "system")
CALL check_namelist_read(ios, unit_loc, "system")
!
CALL system_bcast( )
!
@ -1923,7 +1922,7 @@ MODULE read_namelists_module
IF( ionode ) THEN
READ( unit_loc, electrons, iostat = ios )
END IF
success = check_namelist_read(ios, unit_loc, "electrons")
CALL check_namelist_read(ios, unit_loc, "electrons")
!
CALL electrons_bcast( )
CALL electrons_checkin( prog )
@ -1933,34 +1932,28 @@ MODULE read_namelists_module
!
ios = 0
IF ( ionode ) THEN
IF ( ( TRIM( calculation ) /= 'nscf' .AND. &
IF ( ( TRIM( calculation ) /= 'nscf' .AND. &
TRIM( calculation ) /= 'bands' ) .OR. &
( TRIM( prog_ ) == 'PW+iPi' ) ) THEN
READ( unit_loc, ions, iostat = ios )
END IF
END IF
!
! SCF might have &ions :: ion_positions = 'from_file'
IF ( TRIM( calculation ) == 'scf' ) THEN
required = .FALSE.
ELSE
required = .TRUE.
END IF
!
success = check_namelist_read(ios, unit_loc, "ions", required)
!
IF (success) THEN
CALL ions_bcast( )
CALL ions_checkin( prog )
ELSE
! Rewind the file pointer to the location of the previous present
! section, in this case electrons
IF ( ionode ) THEN
REWIND( unit_loc )
READ( unit_loc, electrons, iostat = ios )
!
! SCF might (optionally) have &ions :: ion_positions = 'from_file'
!
IF ( (ios /= 0) .AND. TRIM( calculation ) == 'scf' ) THEN
! presumably, not found: rewind the file pointer to the location
! of the previous present section, in this case electrons
REWIND( unit_loc )
READ( unit_loc, electrons, iostat = ios )
END IF
!
END IF
!
CALL check_namelist_read(ios, unit_loc, "ions")
!
CALL ions_bcast( )
CALL ions_checkin( prog )
!
! ... CELL namelist
!
ios = 0
@ -1973,7 +1966,7 @@ MODULE read_namelists_module
READ( unit_loc, cell, iostat = ios )
END IF
END IF
success = check_namelist_read(ios, unit_loc, "cell")
CALL check_namelist_read(ios, unit_loc, "cell")
!
CALL cell_bcast()
CALL cell_checkin( prog )
@ -1984,7 +1977,7 @@ MODULE read_namelists_module
READ( unit_loc, press_ai, iostat = ios )
end if
END IF
success = check_namelist_read(ios, unit_loc, "press_ai")
CALL check_namelist_read(ios, unit_loc, "press_ai")
!
CALL press_ai_bcast()
!
@ -1999,7 +1992,7 @@ MODULE read_namelists_module
READ( unit_loc, wannier, iostat = ios )
END IF
END IF
success = check_namelist_read(ios, unit_loc, "wannier")
CALL check_namelist_read(ios, unit_loc, "wannier")
!
CALL wannier_bcast()
CALL wannier_checkin( prog )
@ -2013,7 +2006,7 @@ MODULE read_namelists_module
READ( unit_loc, wannier_ac, iostat = ios )
END IF
END IF
success = check_namelist_read(ios, unit_loc, "wannier_ac")
CALL check_namelist_read(ios, unit_loc, "wannier_ac")
!
CALL wannier_ac_bcast()
CALL wannier_ac_checkin( prog )
@ -2022,21 +2015,14 @@ MODULE read_namelists_module
!
END SUBROUTINE read_namelists
!
FUNCTION check_namelist_read(ios, unit_loc, nl_name, required)
! Set required = .TRUE. if nl_name card is required
! The presence/absence of the card is returned
SUBROUTINE check_namelist_read(ios, unit_loc, nl_name)
USE io_global, ONLY : ionode, ionode_id
USE mp, ONLY : mp_bcast
USE mp_images, ONLY : intra_image_comm
!
IMPLICIT NONE
INTEGER, INTENT(in) :: ios, unit_loc
CHARACTER(LEN=*), INTENT(in) :: nl_name
LOGICAL, INTENT(in), OPTIONAL :: required
!
! ... local variables
!
LOGICAL :: check_namelist_read
INTEGER,INTENT(in) :: ios, unit_loc
CHARACTER(LEN=*) :: nl_name
CHARACTER(len=512) :: line
INTEGER :: ios2
!
@ -2047,14 +2033,8 @@ MODULE read_namelists_module
READ(unit_loc,'(A512)', iostat=ios2) line
END IF
END IF
!
CALL mp_bcast( ios2, ionode_id, intra_image_comm )
!
IF( ios2 /= 0 .AND. PRESENT(required) .AND. .NOT. required) THEN
check_namelist_read = .FALSE.
RETURN
END IF
!
IF( ios2 /= 0 ) THEN
CALL errore( ' read_namelists ', ' could not find namelist &'//TRIM(nl_name), 2)
ENDIF
@ -2068,8 +2048,6 @@ MODULE read_namelists_module
1 )
END IF
!
check_namelist_read = .TRUE.
RETURN
END FUNCTION check_namelist_read
END SUBROUTINE check_namelist_read
!
END MODULE read_namelists_module