!
! Copyright (C) 2015-2017 M. Govoni
! 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 .
!
! This file is part of WEST.
!
! Contributors to this file:
! Marco Govoni
!
!-----------------------------------------------------------------------
MODULE pdep_io
!----------------------------------------------------------------------------
!
USE kinds, ONLY : DP
USE mp_global, ONLY : me_bgrp,root_bgrp,nproc_bgrp,intra_bgrp_comm,my_pool_id,my_bgrp_id,inter_bgrp_comm,inter_pool_comm,&
& intra_pool_comm
USE westcom, ONLY : npwq, npwq_g, npwqx, ngq, ngq_g, npwqx, igq_q !, igq_l2g_kdip
USE gvect, ONLY : ig_l2g
USE json_module, ONLY : json_file
USE control_flags, ONLY : gamma_only
USE base64_module
!
IMPLICIT NONE
!
CONTAINS
!
! ******************************************
! WRITE IN G SPACE
! wfc is passed distributed in G space
! then merged and written in R space
! ******************************************
!
SUBROUTINE pdep_merge_and_write_G(fname,pdepg,iq)
!
USE mp_wave, ONLY : mergewf
USE mp, ONLY : mp_bcast, mp_max
!
! I/O
!
CHARACTER(*), INTENT(IN) :: fname
COMPLEX(DP), INTENT(IN) :: pdepg(npwqx)
INTEGER, INTENT(IN), OPTIONAL :: iq
!
! Workspace
!
COMPLEX(DP),ALLOCATABLE :: tmp_vec(:)
INTEGER :: iun,ierr,ig
CHARACTER(LEN=:),ALLOCATABLE :: charbase64
INTEGER :: nbytes, ndim, iunit, nlen
CHARACTER(LEN=30) :: endian
INTEGER :: npwqx_g
INTEGER, ALLOCATABLE :: igq_l2g_kdip(:), igq_l2g(:)
INTEGER, PARAMETER :: default_iq = 1
INTEGER :: iq_
!
IF( PRESENT(iq) ) THEN
iq_ = iq
ELSE
iq_ = default_iq
ENDIF
!
IF ( .NOT. gamma_only) THEN
!
! Resume all components
!
ndim = ngq_g(iq_)
!
!
!
npwqx_g = MAXVAL( ngq_g(:) )
ALLOCATE( igq_l2g_kdip(npwqx_g) )
igq_l2g_kdip(:) = 0
!
ALLOCATE( igq_l2g(ngq(iq_)) )
DO ig = 1, ngq(iq_)
igq_l2g(ig) = ig_l2g( igq_q(ig,iq_) )
ENDDO
CALL gq_l2gmap_kdip( npwq_g, ngq_g(iq_), ngq(iq_), igq_l2g, igq_l2g_kdip )
DEALLOCATE( igq_l2g )
!
!
!
! npwq_g = MAXVAL(igq_l2g_kdip(1:ndim,iq))
! CALL mp_max(npwq_g,intra_pool_comm)
! CALL mp_max(npwq_g,intra_bgrp_comm)
!
ALLOCATE( tmp_vec(npwq_g) )
tmp_vec=0._DP
!
CALL mergewf( pdepg(:), tmp_vec, npwq, igq_l2g_kdip, me_bgrp, nproc_bgrp, root_bgrp, intra_bgrp_comm)
DEALLOCATE( igq_l2g_kdip )
!
! ONLY ROOT W/IN BGRP WRITES
!
IF(me_bgrp==root_bgrp) THEN
!
nbytes = SIZEOF(tmp_vec(1)) * ndim
nlen = lenbase64(nbytes)
ALLOCATE(CHARACTER(LEN=nlen) :: charbase64)
CALL base64_encode_complex(tmp_vec(1:ndim), ndim, charbase64)
!
IF( islittleendian() ) THEN
endian = '"islittleendian" : true'
ELSE
endian = '"islittleendian" : false'
ENDIF
!
OPEN( NEWUNIT=iunit, FILE = TRIM(fname) )
WRITE( iunit, '(a)' ) '{'
WRITE( iunit, '(a,i0,a)' ) '"meta" : { "name" : "eigenpotential", "type" : "complex double", "space" : "G",&
"ndim" : ', ndim, ', "encoding" : "base64", '//TRIM(endian)//' }'
WRITE( iunit, '(a)') ', "data" : '
WRITE( iunit, '(a)' ) '"'//charbase64//'"'
WRITE( iunit, '(a)' ) '}'
CLOSE( iunit )
!
DEALLOCATE( charbase64 )
!
END IF
!
DEALLOCATE( tmp_vec )
!
ELSE
!
! Resume all components
!
ALLOCATE( tmp_vec(npwq_g) )
tmp_vec=0._DP
!
CALL mergewf( pdepg(:), tmp_vec, npwq, ig_l2g(1:npwq), me_bgrp, nproc_bgrp, root_bgrp, intra_bgrp_comm)
!
! ONLY ROOT W/IN BGRP WRITES
!
IF(me_bgrp==root_bgrp) THEN
!
ndim = npwq_g
nbytes = SIZEOF(tmp_vec(1)) * ndim
nlen = lenbase64(nbytes)
ALLOCATE(CHARACTER(LEN=nlen) :: charbase64)
CALL base64_encode_complex(tmp_vec(1:ndim), ndim, charbase64)
!
IF( islittleendian() ) THEN
endian = '"islittleendian" : true'
ELSE
endian = '"islittleendian" : false'
ENDIF
!
OPEN( NEWUNIT=iunit, FILE = TRIM(fname) )
WRITE( iunit, '(a)' ) '{'
WRITE( iunit, '(a,i0,a)' ) '"meta" : { "name" : "eigenpotential", "type" : "complex double", "space" : "G",&
"ndim" : ', ndim, ', "encoding" : "base64", '//TRIM(endian)//' }'
WRITE( iunit, '(a)') ', "data" : '
WRITE( iunit, '(a)' ) '"'//charbase64//'"'
WRITE( iunit, '(a)' ) '}'
CLOSE( iunit )
!
DEALLOCATE( charbase64 )
!
ENDIF
!
DEALLOCATE( tmp_vec )
!
ENDIF
!
END SUBROUTINE
!
! ******************************************
! READ IN G SPACE
! wfc is read merged in G space
! then split in G space
! ******************************************
!
SUBROUTINE pdep_read_G_and_distribute(fname,pdepg,iq)
!
USE mp_wave, ONLY : splitwf
USE mp, ONLY : mp_bcast, mp_max
USE mp_global, ONLY : intra_bgrp_comm
USE base64_module
!
! I/O
!
CHARACTER(*), INTENT(IN) :: fname
COMPLEX(DP), INTENT(OUT) :: pdepg(npwqx)
INTEGER, INTENT(IN), OPTIONAL :: iq
!
! Workspace
!
TYPE(json_file) :: json
COMPLEX(DP),ALLOCATABLE :: tmp_vec(:)
INTEGER :: iun,ierr,ig
CHARACTER(LEN=1000) :: line
CHARACTER(LEN=:),ALLOCATABLE :: charbase64
CHARACTER(LEN=:),ALLOCATABLE :: endian
INTEGER :: nbytes, ndim, iunit, nlen
LOGICAL :: found, isle
INTEGER :: npwqx_g
INTEGER, ALLOCATABLE :: igq_l2g_kdip(:), igq_l2g(:)
INTEGER, PARAMETER :: default_iq = 1
INTEGER :: iq_
!
IF( PRESENT(iq) ) THEN
iq_ = iq
ELSE
iq_ = default_iq
ENDIF
!
IF ( .NOT. gamma_only ) THEN
!
! Resume all components
!
ndim = ngq_g(iq_)
! npwq_g = MAXVAL(igq_l2g_kdip(1:ndim,iq))
! CALL mp_max(npwq_g,intra_pool_comm)
! CALL mp_max(npwq_g,intra_bgrp_comm)
!
ALLOCATE( tmp_vec(npwq_g) )
tmp_vec=0._DP
pdepg=0._DP
!
IF(my_pool_id==0.AND.my_bgrp_id==0) THEN
!
! ONLY ROOT W/IN BGRP READS
!
nbytes = SIZEOF(tmp_vec(1)) * ndim
nlen = lenbase64(nbytes)
!
IF(me_bgrp==root_bgrp) THEN
!
ALLOCATE(CHARACTER(LEN=(nlen+2)) :: charbase64)
!
OPEN( NEWUNIT=iunit, FILE = TRIM(fname) )
READ( iunit, * )
READ( iunit, '(a)' ) line
READ( iunit, * )
READ( iunit, '(a)' ) charbase64
CLOSE( iunit )
CALL base64_decode_complex(charbase64(2:(nlen+1)), ndim, tmp_vec(1:ndim))
DEALLOCATE( charbase64 )
!
CALL json%load_from_string("{"//TRIM(line)//"}")
CALL json%get('meta.islittleendian', isle, found)
CALL json%destroy()
!
IF (islittleendian() .NEQV. isle) CALL base64_byteswap_complex(nbytes,tmp_vec(1:ndim))
!
END IF
!
!
!
!
npwqx_g = MAXVAL( ngq_g(:) )
ALLOCATE( igq_l2g_kdip(npwqx_g) )
igq_l2g_kdip(:) = 0
!
ALLOCATE( igq_l2g(ngq(iq_)) )
DO ig = 1, ngq(iq_)
igq_l2g(ig) = ig_l2g( igq_q(ig,iq_) )
ENDDO
CALL gq_l2gmap_kdip( npwq_g, ngq_g(iq_), ngq(iq_), igq_l2g, igq_l2g_kdip )
DEALLOCATE( igq_l2g )
!
!
!
CALL splitwf( pdepg, tmp_vec, npwq, igq_l2g_kdip, me_bgrp, nproc_bgrp, root_bgrp, intra_bgrp_comm)
DEALLOCATE( igq_l2g_kdip )
!
ENDIF
!
DEALLOCATE( tmp_vec )
!
CALL mp_bcast(pdepg,0,inter_bgrp_comm)
CALL mp_bcast(pdepg,0,inter_pool_comm)
!
ELSE
!
! Resume all components
!
ALLOCATE( tmp_vec(npwq_g) )
tmp_vec=0._DP
pdepg=0._DP
!
IF(my_pool_id==0.AND.my_bgrp_id==0) THEN
!
! ONLY ROOT W/IN BGRP READS
!
ndim = npwq_g
nbytes = SIZEOF(tmp_vec(1)) * ndim
nlen = lenbase64(nbytes)
!
IF(me_bgrp==root_bgrp) THEN
!
ALLOCATE(CHARACTER(LEN=(nlen+2)) :: charbase64)
!
OPEN( NEWUNIT=iunit, FILE = TRIM(fname) )
READ( iunit, * )
READ( iunit, '(a)' ) line
READ( iunit, * )
READ( iunit, '(a)' ) charbase64
CLOSE( iunit )
CALL base64_decode_complex(charbase64(2:(nlen+1)), ndim, tmp_vec(1:ndim))
DEALLOCATE( charbase64 )
!
CALL json%load_from_string("{"//TRIM(line)//"}")
CALL json%get('meta.islittleendian', isle, found)
CALL json%destroy()
!
IF (islittleendian() .NEQV. isle) CALL base64_byteswap_complex(nbytes,tmp_vec(1:ndim))
!
END IF
!
CALL splitwf( pdepg, tmp_vec, npwq, ig_l2g(1:npwq), me_bgrp, nproc_bgrp, root_bgrp, intra_bgrp_comm)
!
ENDIF
!
DEALLOCATE( tmp_vec )
!
CALL mp_bcast(pdepg,0,inter_bgrp_comm)
CALL mp_bcast(pdepg,0,inter_pool_comm)
!
ENDIF
!
END SUBROUTINE
!
END MODULE