mirror of https://gitlab.com/QEF/q-e.git
81 lines
2.1 KiB
Fortran
81 lines
2.1 KiB
Fortran
!
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! Copyright (C) 2001 PWSCF 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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subroutine io_pot (iop, filename, pot, nc)
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!-----------------------------------------------------------------------
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!
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! This routine reads (iop=-1) or write (iop=1) the potential
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! in real space onto a file
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!
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#include "machine.h"
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use pwcom
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#ifdef PARA
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use para
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#endif
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implicit none
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integer :: iop, nc, ic
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! option: write if +1, read if -1
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! number of components and index for them
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character (len=*) :: filename
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real(kind=DP) :: pot (nrxx, nc)
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#ifdef PARA
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real(kind=DP), allocatable :: allv (:,:)
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#endif
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logical :: exst
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#ifdef PARA
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if (me.eq.1) allocate( allv(nrx1*nrx2*nrx3, nc) )
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!
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! On writing: gather the potential on the first node of each pool
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!
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if (iop.eq.1) then
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do ic = 1, nc
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call gather (pot (1, ic), allv (1, ic) )
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enddo
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endif
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if (me.eq.1.and.mypool.eq.1) then
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!
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! Only the first node of the first pool reads or writes the file
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!
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call seqopn (4, filename, 'unformatted', exst)
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if (iop.eq.1) then
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write (4, err = 10) allv
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else
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read (4, err = 20) allv
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endif
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close (unit = 4)
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endif
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!
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! On reading: copy the potential on the first node of all pools
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! scatter the potential on all nodes of each pool
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!
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if (iop.eq. - 1) then
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if (me.eq.1) call poolbcast (nrx1 * nrx2 * nrx3 * nc, allv)
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do ic = 1, nc
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call scatter (allv (1, ic), pot (1, ic) )
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enddo
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endif
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if (me.eq.1) deallocate(allv)
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#else
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call seqopn (4, filename, 'unformatted', exst)
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if (iop.eq.1) then
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write (4, err = 10) pot
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else
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read (4, err = 20) pot
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endif
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close (unit = 4)
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#endif
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return
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10 call error ('io_pot', 'error writing '//filename, 1)
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return
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20 call error ('io_pot', 'error reading '//filename, 2)
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return
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end subroutine io_pot
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