mirror of https://gitlab.com/QEF/q-e.git
94 lines
3.5 KiB
Fortran
94 lines
3.5 KiB
Fortran
!
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! Copyright (C) 2007 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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#include "f_defs.h"
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!
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!----------------------------------------------------------------------------
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SUBROUTINE memory_report()
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!----------------------------------------------------------------------------
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!
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USE io_global, ONLY : stdout
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USE wvfct, ONLY : npwx, nbnd, nbndx
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USE basis, ONLY : natomwfc
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USE gvect, ONLY : ngl, nr1, nr2, nr3, nrxx, ngm
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USE uspp, ONLY : nkb
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USE ldaU, ONLY : lda_plus_u
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USE lsda_mod, ONLY : nspin
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USE noncollin_module, ONLY : npol
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USE wavefunctions_module, ONLY : evc
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USE control_flags, ONLY: isolve, nmix, gamma_only, lscf
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!
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IMPLICIT NONE
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!
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INTEGER, PARAMETER :: Mb=1024*1024, complex_size=16, real_size=8
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INTEGER :: size
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!
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!
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WRITE( stdout, '(/5x,"Largest allocated arrays",5x,"est. size (Mb)", &
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&5x,"dimensions")')
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WRITE( stdout, '(8x,"Kohn-Sham Wavefunctions ",f10.2," Mb", &
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& 5x,"(",i7,",",i4,")")') &
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DBLE(complex_size*nbnd*npol*npwx)/Mb, npwx*npol,nbnd
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IF ( lda_plus_u ) &
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WRITE( stdout, '(8x,"Atomic wavefunctions ",f10.2," Mb", &
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& 5x,"(",i7,",",i4,")")') &
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DBLE(complex_size*natomwfc*npol*npwx)/Mb, npwx*npol,natomwfc
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WRITE( stdout, '(8x,"NL pseudopotentials ",f10.2," Mb", &
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& 5x,"(",i7,",",i4,")")') &
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DBLE(complex_size*nkb*npwx)/Mb, npwx, nkb
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IF ( nspin == 2 ) THEN
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WRITE( stdout, '(8x,"Each V/rho on FFT grid ",f10.2," Mb", &
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& 5x,"(",i7,",",i4,")")') &
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DBLE(complex_size*nrxx*nspin)/Mb, nrxx, nspin
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ELSE
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WRITE( stdout, '(8x,"Each V/rho on FFT grid ",f10.2," Mb", &
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& 5x,"(",i7,")")') DBLE(complex_size*nrxx)/Mb, nrxx
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END IF
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WRITE( stdout, '(8x,"Each G-vector array ",f10.2," Mb", &
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& 5x,"(",i7,")")') DBLE(real_size*ngm)/Mb, ngm
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WRITE( stdout, '(8x,"G-vector shells ",f10.2," Mb", &
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& 5x,"(",i7,")")') DBLE(real_size*ngl)/Mb, ngl
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!
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WRITE( stdout, '(5x,"Largest temporary arrays",5x,"est. size (Mb)", &
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&5x,"dimensions")')
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IF ( gamma_only) THEN
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size = real_size
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ELSE
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size = complex_size
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END IF
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!
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IF ( isolve == 0 ) THEN
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WRITE( stdout, '(8x,"Auxiliary wavefunctions ",f10.2," Mb", &
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& 5x,"(",i7,",",i4,")")') &
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DBLE(size*nbndx*npol*npwx)/Mb, npwx*npol, nbndx
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WRITE( stdout, '(8x,"Each subspace H/S matrix ",f10.2," Mb", &
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& 5x,"(",i7,",",i4,")")') &
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DBLE(size*nbndx*nbndx)/Mb, nbndx, nbndx
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ELSE
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WRITE( stdout, '(8x,"Each subspace H/S matrix ",f10.2," Mb", &
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& 5x,"(",i7,",",i4,")")') &
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DBLE(size*nbnd*nbnd)/Mb, nbnd, nbnd
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ENDIF
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!
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IF ( npol > 1 ) THEN
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WRITE( stdout, '(8x,"Each <psi_i|beta_j> matrix",f10.2," Mb", &
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& 5x,"(",i7,",",i4,",",i4,")")') &
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DBLE(size*nkb*npol*nbnd)/Mb, nkb, npol, nbnd
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ELSE
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WRITE( stdout, '(8x,"Each <psi_i|beta_j> matrix",f10.2," Mb", &
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& 5x,"(",i7,",",i4,")")') &
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DBLE(size*nkb*nbnd)/Mb, nkb, nbnd
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END IF
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!
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IF ( lscf) WRITE( stdout, &
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'(8x,"Arrays for rho mixing ",f10.2," Mb", 5x,"(",i7,",",i4,")")') &
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DBLE(complex_size*nrxx*nmix)/Mb, nrxx, nmix
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!
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RETURN
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!
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END subroutine memory_report
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