quantum-espresso/UtilXlib/mp_bands_util.f90

47 lines
1.8 KiB
Fortran

!
! Copyright (C) 2013 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 .
!
!----------------------------------------------------------------------------
MODULE mp_bands_util
!----------------------------------------------------------------------------
!
USE mp, ONLY : mp_barrier, mp_bcast, mp_size, mp_rank, mp_comm_split
USE parallel_include
!
IMPLICIT NONE
SAVE
!
! ... Band groups (processors within a pool of bands)
! ... Subdivision of pool group, used for parallelization over bands
!
INTEGER :: nbgrp = 1 ! number of band groups
INTEGER :: nproc_bgrp = 1 ! number of processors within a band group
INTEGER :: me_bgrp = 0 ! index of the processor within a band group
INTEGER :: root_bgrp = 0 ! index of the root processor within a band group
INTEGER :: my_bgrp_id = 0 ! index of my band group
INTEGER :: root_bgrp_id = 0 ! index of root band group
INTEGER :: inter_bgrp_comm = 0 ! inter band group communicator
INTEGER :: intra_bgrp_comm = 0 ! intra band group communicator
! Next variable is .T. if band parallelization is performed inside H\psi
! and S\psi, .F. otherwise (band parallelization can be performed outside
! H\psi and S\psi, though)
LOGICAL :: use_bgrp_in_hpsi = .FALSE.
!
! ... "task" groups (for band parallelization of FFT)
!
INTEGER :: ntask_groups = 1 ! number of proc. in an orbital "task group"
!
#if defined (__MPI)
! ... variable gstart2 must be properly set to be used with the real algorithm
!
INTEGER :: gstart = -1 ! variable not set yet
#else
INTEGER :: gstart = 2 ! appropriate value for serial execution
#endif
END MODULE mp_bands_util