mirror of https://gitlab.com/QEF/q-e.git
237 lines
8.9 KiB
Fortran
237 lines
8.9 KiB
Fortran
!
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! Copyright (C) 2013 Quantum ESPRESSO 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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MODULE command_line_options
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!----------------------------------------------------------------------------
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!
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! ... Utilities to read command-line variables and to set related variables:
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! ... "get_command_line()" with no arguments:
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! ... reads the command line,
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! ... interprets QE-specific variables,
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! ... stores the corresponding values
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! ... (nimage, npool, ntg, nyfft, nband, ndiag),
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! ... broadcasts them to all processors,
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! ... leaves the rest of the command line
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! ... (including the code name) in "command_line"
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! ... "get_command_line(input_command_line)" with a string argument:
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! ... as above, but reading from the input string
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! ... Variables are read on one processor and broadcast to all others
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! ... because there is no guarantee that all processors have access to
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! ... command-line options in parallel execution.
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! ... "set_command_line" directly sets nimage, npool, ntg, nyfft, nband, ndiag.
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! ... Useful to initialize parallelism when QE is used as a library
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!
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USE mp, ONLY : mp_bcast
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USE mp_world, ONLY : root, world_comm
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USE io_global, ONLY : meta_ionode
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!
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IMPLICIT NONE
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!
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SAVE
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!
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! ... Number of arguments in command line
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INTEGER :: nargs = 0
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! ... QE arguments read from command line
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INTEGER :: nimage_= 1, npool_= 1, ndiag_ = 0, nband_= 1, ntg_= 1, nyfft_ = 1
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! ... Indicate if using library init
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LOGICAL :: library_init = .FALSE.
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! ... input file name read from command line
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CHARACTER(LEN=256) :: input_file_ = ' '
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! ... Command line arguments that were not identified and processed
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CHARACTER(LEN=512) :: command_line = ' '
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!
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CONTAINS
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!
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SUBROUTINE get_command_line ( input_command_line )
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IMPLICIT NONE
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CHARACTER(LEN=*), OPTIONAL :: input_command_line
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INTEGER :: narg
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LOGICAL :: read_string
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CHARACTER(LEN=256) :: arg
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CHARACTER(LEN=6), EXTERNAL :: int_to_char
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!
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command_line = ' '
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read_string = PRESENT ( input_command_line )
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!
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! command line parameters have already been set via set_command_line()
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IF (library_init) GO TO 20
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!
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IF (read_string) THEN
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nargs = my_iargc ( input_command_line )
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ELSE
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nargs = command_argument_count()
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ENDIF
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CALL mp_bcast ( nargs, root, world_comm )
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!
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! ... Only the first node reads and broadcasts
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!
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IF ( .NOT. meta_ionode ) GO TO 20
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!
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arg = ' '
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narg=0
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10 CONTINUE
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IF (read_string) THEN
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CALL my_getarg ( input_command_line, narg, arg )
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ELSE
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CALL get_command_argument ( narg, arg )
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ENDIF
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narg = narg + 1
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SELECT CASE ( TRIM(arg) )
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CASE ( '-i', '-in', '-inp', '-input' )
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IF (read_string) THEN
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CALL my_getarg ( input_command_line, narg, input_file_ )
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ELSE
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CALL get_command_argument ( narg, input_file_ )
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ENDIF
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IF ( TRIM (input_file_) == ' ' ) GO TO 15
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narg = narg + 1
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CASE ( '-ni', '-nimage', '-nimages', '-npot' )
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IF (read_string) THEN
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CALL my_getarg ( input_command_line, narg, arg )
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ELSE
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CALL get_command_argument ( narg, arg )
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ENDIF
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READ ( arg, *, ERR = 15, END = 15) nimage_
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narg = narg + 1
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CASE ( '-nk', '-npool', '-npools')
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IF (read_string) THEN
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CALL my_getarg ( input_command_line, narg, arg )
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ELSE
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CALL get_command_argument ( narg, arg )
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ENDIF
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READ ( arg, *, ERR = 15, END = 15) npool_
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narg = narg + 1
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!
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! special case : task group paralleization and nyfft parallelization, both
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! introduced to improve scaling coexist and are in part interchangeable
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! if TG is available it's faster that NYFFT becouse it communicates larger
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! data chuncks less times. But sometimes it is not available as for instance
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! when metagga is used or realus or for conjugate gradient. nyfft can be used.
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!-ntg and -nyfft are both alloved flags set the same value for both ntg and nyfft.
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! These variables are kept separated to help understanding which operation belong
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! to TG or to NYFFT. This can enable to make them different if the need arises.
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!
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CASE ( '-nt', '-ntg', '-ntask_groups', '-nyfft')
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IF (read_string) THEN
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CALL my_getarg ( input_command_line, narg, arg )
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ELSE
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CALL get_command_argument ( narg, arg )
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ENDIF
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READ ( arg, *, ERR = 15, END = 15) ntg_ ! read the argument as ntg_
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nyfft_ = ntg_ ! set nyfft_ equal to ntg_
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narg = narg + 1
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! CASE ( '-nyfft' )
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! IF (read_string) THEN
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! CALL my_getarg ( input_command_line, narg, arg )
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! ELSE
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! CALL get_command_argument ( narg, arg )
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! ENDIF
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! READ ( arg, *, ERR = 15, END = 15) nyfft_
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! narg = narg + 1
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CASE ( '-nb', '-nband', '-nbgrp', '-nband_group')
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IF (read_string) THEN
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CALL my_getarg ( input_command_line, narg, arg )
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ELSE
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CALL get_command_argument ( narg, arg )
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ENDIF
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READ ( arg, *, ERR = 15, END = 15) nband_
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narg = narg + 1
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CASE ( '-nd', '-ndiag', '-northo', '-nproc_diag', '-nproc_ortho')
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IF (read_string) THEN
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CALL my_getarg ( input_command_line, narg, arg )
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ELSE
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CALL get_command_argument ( narg, arg )
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ENDIF
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READ ( arg, *, ERR = 15, END = 15) ndiag_
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narg = narg + 1
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CASE DEFAULT
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command_line = TRIM(command_line) // ' ' // TRIM(arg)
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END SELECT
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IF ( narg > nargs ) GO TO 20
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GO TO 10
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! ... something wrong: notify and continue
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15 CALL infomsg ('get_command_line', 'unexpected argument # ' // &
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& int_to_char(narg) // ':' //TRIM(arg))
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narg = narg + 1
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GO TO 10
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! ... normal exit
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20 CONTINUE
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CALL mp_bcast( command_line, root, world_comm )
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CALL mp_bcast( input_file_ , root, world_comm )
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CALL mp_bcast( nimage_, root, world_comm )
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CALL mp_bcast( npool_ , root, world_comm )
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CALL mp_bcast( ntg_ , root, world_comm )
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CALL mp_bcast( nyfft_ , root, world_comm )
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CALL mp_bcast( nband_ , root, world_comm )
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CALL mp_bcast( ndiag_ , root, world_comm )
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END SUBROUTINE get_command_line
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!
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INTEGER FUNCTION my_iargc ( input_command_line )
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IMPLICIT NONE
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CHARACTER(LEN=*), INTENT(IN) :: input_command_line
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CHARACTER(LEN=1) :: previous, current
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INTEGER :: i
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my_iargc = 0
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previous = ' '
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DO i=1,LEN_TRIM(input_command_line)
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current = input_command_line(i:i)
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IF ( current /= ' ' .AND. previous == ' ' ) my_iargc = my_iargc+1
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previous = current
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END DO
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END FUNCTION my_iargc
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!
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SUBROUTINE my_getarg ( input_command_line, narg, arg )
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IMPLICIT NONE
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CHARACTER(LEN=*), INTENT(IN) :: input_command_line
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INTEGER, INTENT(IN) :: narg
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CHARACTER(LEN=*), INTENT(OUT) :: arg
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CHARACTER(LEN=1) :: previous, current
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INTEGER :: iarg, i, indx
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iarg = 0
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previous = ' '
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arg = ' '
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indx= 0
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DO i=1,LEN_TRIM(input_command_line)
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current = input_command_line(i:i)
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IF ( current /= ' ' .AND. previous == ' ' ) iarg = iarg+1
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IF ( iarg == narg ) THEN
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indx = indx + 1
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arg(indx:indx) = current
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IF ( indx == LEN(arg) ) RETURN
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ELSE IF ( iarg > narg ) THEN
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RETURN
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END IF
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previous = current
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END DO
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END SUBROUTINE my_getarg
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SUBROUTINE set_command_line ( nimage, npool, ntg, nyfft, nband, ndiag)
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! directly set command line options without going through the command line
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IMPLICIT NONE
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INTEGER, INTENT(IN), OPTIONAL :: nimage, npool, ntg, nyfft, nband, ndiag
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!
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IF ( PRESENT(nimage) ) nimage_ = nimage
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IF ( PRESENT(npool) ) npool_ = npool
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IF ( PRESENT(ntg) ) ntg_ = ntg
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IF ( PRESENT(nyfft) ) nyfft_ = nyfft
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IF ( PRESENT(nband) ) nband_ = nband
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IF ( PRESENT(ndiag) ) ndiag_ = ndiag
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!
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library_init = .TRUE.
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!
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END SUBROUTINE set_command_line
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!
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END MODULE command_line_options
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