mirror of https://gitlab.com/QEF/q-e.git
- distribute bec type across processor
only when memory = 'small' git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9202 c92efa57-630b-4861-b058-cf58834340f0
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@ -15,7 +15,7 @@ MODULE becmod
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! ... or betapsi(i,s,j)= <beta(i)|psi(s,j)> (s=polarization index)
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!
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USE kinds, ONLY : DP
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USE control_flags, ONLY : gamma_only
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USE control_flags, ONLY : gamma_only, smallmem
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USE gvect, ONLY : gstart
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USE noncollin_module, ONLY : noncolin, npol
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!
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@ -348,8 +348,7 @@ CONTAINS
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bec%nbnd_loc = nbnd
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bec%ibnd_begin = 1
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!
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#ifdef __SCALAPACK
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IF( PRESENT( comm ) .AND. gamma_only ) THEN
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IF( PRESENT( comm ) .AND. gamma_only .AND. smallmem ) THEN
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bec%comm = comm
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bec%nproc = mp_size( comm )
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IF( bec%nproc > 1 ) THEN
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@ -360,7 +359,7 @@ CONTAINS
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bec%ibnd_begin = gind_block( 1, becp%nbnd, bec%nproc, bec%mype )
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END IF
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END IF
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#endif
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!
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IF ( gamma_only ) THEN
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!
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ALLOCATE( bec%r( nkb, nbnd_siz ), STAT=ierr )
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@ -176,7 +176,8 @@ SUBROUTINE iosys()
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ldamped, lbands, llang, &
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lconstrain, restart, twfcollect, &
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llondon, do_makov_payne, &
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lecrpa_ => lecrpa
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lecrpa_ => lecrpa, &
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smallmem
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USE control_flags, ONLY: scf_must_converge_ => scf_must_converge
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!
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USE wvfct, ONLY : nbnd_ => nbnd, &
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@ -230,7 +231,7 @@ SUBROUTINE iosys()
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pseudo_dir, disk_io, tefield, dipfield, lberry, &
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gdir, nppstr, wf_collect,lelfield, efield, &
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nberrycyc, lkpoint_dir, efield_cart, lecrpa, &
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vdw_table_name
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vdw_table_name, memory
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#if defined __MS2
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USE input_parameters, ONLY : MS2_enabled, MS2_handler
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@ -505,6 +506,12 @@ SUBROUTINE iosys()
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CALL errore( 'iosys', 'LSDA not available with electric field' , 1 )
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ENDIF
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!
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! ... define memory related internal switches
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!
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IF( TRIM( memory ) == 'small' ) THEN
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smallmem = .TRUE.
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END IF
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!
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twfcollect = wf_collect
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!
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! ... Set Values for electron and bands
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