mirror of https://gitlab.com/QEF/q-e.git
136 lines
5.3 KiB
Fortran
136 lines
5.3 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 mp_global
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!----------------------------------------------------------------------------
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!! Wrapper module, for compatibility. Contains a few "leftover" variables
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!! used for checks (all the *_file variables, read from data file),
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!! plus the routine mp_startup initializing MPI and the command line,
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!! plus the routine mp_global_end stopping MPI.
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!! Do not use this module to reference variables (e.g. communicators)
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!! belonging to each of the various parallelization levels:
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!! use the specific modules instead.
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! ... PLEASE DO NOT ADD NEW STUFF TO THIS MODULE. Removing stuff is ok.
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!
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USE mp_world, ONLY: world_comm, mp_world_start, mp_world_end
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USE mp_images
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USE mp_pools
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USE mp_bands
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USE mp_bands_TDDFPT
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!
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IMPLICIT NONE
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SAVE
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!
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! ... number of processors for the various groups: values read from file
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!
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INTEGER :: nproc_file = 1
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INTEGER :: nproc_image_file = 1
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INTEGER :: nproc_pool_file = 1
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INTEGER :: nproc_ortho_file = 1
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INTEGER :: nproc_bgrp_file = 1
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INTEGER :: ntask_groups_file= 1
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INTEGER :: nyfft_file= 1
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!
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CONTAINS
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!
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!-----------------------------------------------------------------------
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SUBROUTINE mp_startup ( my_world_comm, start_images, images_only )
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!-----------------------------------------------------------------------
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!! This wrapper subroutine initializes all parallelization levels.
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!! If option with_images=.true., processes are organized into images,
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!! each performing a quasi-indipendent calculation, such as a point
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!! in configuration space (NEB) or a phonon irrep (PHonon).
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!! Within each image processes are further subdivided into various
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!! groups and parallelization levels.
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!
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! IMPORTANT NOTICE 1: since the command line is read here, it may be
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! convenient to call it in serial execution as well
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! IMPORTANT NOTICE 2: most parallelization levels are initialized here
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! but at least some will be moved to a later stage
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! SPECIAL CASE: command-line options "-ntg" and "-nyfft", introduced to
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! improve scaling, coexist and are in part interchangeable.
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! If task groups are available, -ntg is faster than -nyfft
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! because it communicates larger data chuncks less frequently
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! Sometimes task groups are not available as for instance
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! when metagga is used or realus or for conjugate gradient.
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! For those cases, -nyfft can be used instead.
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! You may specify one or another: the same value will be set
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! for both ntg and nyfft. These variables are kept separated
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! to help understanding which operation belong to task groups
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! or to nyfft, allowing to differenciate them if need arises.
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!
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USE command_line_options, ONLY : get_command_line, &
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nimage_, npool_, nband_, ntg_, nyfft_
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USE parallel_include
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!
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IMPLICIT NONE
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INTEGER, INTENT(IN), OPTIONAL :: my_world_comm
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LOGICAL, INTENT(IN), OPTIONAL :: start_images
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LOGICAL, INTENT(IN), OPTIONAL :: images_only
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LOGICAL :: do_images, only_images
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INTEGER :: my_comm
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!
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my_comm = MPI_COMM_WORLD
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IF ( PRESENT(my_world_comm) ) my_comm = my_world_comm
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!
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CALL mp_world_start( my_comm )
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CALL get_command_line ( )
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#if defined (__CUDA)
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IF ( ntg_ > 1 ) CALL errore('mp_startup','No task groups for GPUs',ntg_)
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#endif
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!
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do_images = .FALSE.
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IF ( PRESENT(start_images) ) do_images = start_images
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IF ( do_images ) THEN
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CALL mp_start_images ( nimage_, world_comm )
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ELSE
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CALL mp_init_image ( world_comm )
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END IF
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!
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! if images_only is present and .t., do not initialize all other
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! parallelization levels - Temporary solution for backward-compatibility
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!
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only_images = .FALSE.
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IF ( PRESENT(images_only) ) only_images = images_only
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IF ( only_images ) RETURN
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!
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! npool_ is 0 if not specified in command line
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IF ( npool_== 0 ) npool_ = 1
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CALL mp_start_pools ( npool_, intra_image_comm )
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! ntg_ is 0 if not specified in command line
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IF ( ntg_== 0 ) ntg_ = 1
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#if defined (__CUDA_OPTIMIZED)
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CALL mp_start_bands ( 1 , ntg_, nyfft_, intra_pool_comm )
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#else
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CALL mp_start_bands ( nband_, ntg_, nyfft_, intra_pool_comm )
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#endif
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!
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RETURN
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!
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END SUBROUTINE mp_startup
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!
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!-----------------------------------------------------------------------
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SUBROUTINE mp_global_end ( )
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!-----------------------------------------------------------------------
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!
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USE mp, ONLY : mp_comm_free
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USE mp_orthopools, ONLY: mp_stop_orthopools
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!
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CALL mp_comm_free ( intra_bgrp_comm )
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CALL mp_comm_free ( inter_bgrp_comm )
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CALL mp_comm_free ( intra_pool_comm )
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CALL mp_comm_free ( inter_pool_comm )
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CALL mp_stop_orthopools( ) ! cleans orthopools if used in exx
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CALL mp_world_end( )
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!
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RETURN
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!
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END SUBROUTINE mp_global_end
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!
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END MODULE mp_global
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