mirror of https://gitlab.com/QEF/q-e.git
Ooops ... forgot to change the arguments of divide_et_impera
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12894 c92efa57-630b-4861-b058-cf58834340f0
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@ -301,7 +301,7 @@ SUBROUTINE read_xml_file_internal(withbs)
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! ... nks is defined by the following routine as the number
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! ... of k-points in the current pool
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!
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CALL divide_et_impera( xk, wk, isk, lsda, nkstot, nks )
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CALL divide_et_impera( nkstot, xk, wk, isk, nks )
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!
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CALL poolscatter( nbnd, nkstot, et, nks, et )
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CALL poolscatter( nbnd, nkstot, wg, nks, wg )
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@ -633,20 +633,11 @@ SUBROUTINE setup()
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!
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IF ( nkstot > npk ) CALL errore( 'setup', 'too many k points', nkstot )
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!
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#ifdef __MPI
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!
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!
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! ... distribute k-points (and their weights and spin indices)
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!
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kunit = 1
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CALL divide_et_impera( xk, wk, isk, lsda, nkstot, nks )
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CALL divide_et_impera ( nkstot, xk, wk, isk, nks )
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!
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#else
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!
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nks = nkstot
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!
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#endif
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IF ( dft_is_hybrid() ) THEN
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CALL exx_grid_init()
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CALL exx_div_check()
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@ -147,8 +147,6 @@ SUBROUTINE lr_setup_nscf ()
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!
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qnorm = sqrt(xq(1)**2 + xq(2)**2 + xq(3)**2)
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!
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#ifdef __MPI
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!
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! ... set the granularity for k-point distribution
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!
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IF ( ABS( xq(1) ) < eps8 .AND. ABS( xq(2) ) < eps8 .AND. &
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@ -164,13 +162,7 @@ SUBROUTINE lr_setup_nscf ()
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!
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! ... distribute k-points (and their weights and spin indices)
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!
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CALL divide_et_impera( xk, wk, isk, lsda, nkstot, nks )
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!
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#else
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!
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nks = nkstot
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!
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#endif
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CALL divide_et_impera( nkstot, xk, wk, isk, nks )
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!
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CALL stop_clock( 'lr_setup_nscf' )
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!
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@ -36,10 +36,9 @@ SUBROUTINE reset_k_points_and_reinit_nscf()
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nkstot=nks
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CALL divide_et_impera( nkstot, xk, wk, isk, nks )
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CALL divide_et_impera( xk, wk, isk, lsda, nkstot, nks )
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! ... Setting the values for the nscf run
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! ... Setting the values for the nscf run
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!
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startingconfig = 'input'
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starting_pot = 'file'
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@ -228,7 +228,7 @@ PROGRAM X_Spectra
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! wk(1:nkstot)=2.d0/nkstot
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ENDIF
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wk(1:nkstot)=2.d0/nkstot
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CALL divide_et_impera( xk, wk, isk, lsda, nkstot, nks )
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CALL divide_et_impera( nkstot, xk, wk, isk, nks )
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ENDIF
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