mirror of https://gitlab.com/QEF/q-e.git
wrong indexing of threaded_backassignement corrected in ppcg_gamma
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@ -532,14 +532,14 @@ SUBROUTINE ppcg_gamma( h_psi, s_psi, overlap, precondition, &
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call threaded_assign( buffer1, psi, npwx, l, col_idx )
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call threaded_assign( buffer1, psi, npwx, l, col_idx )
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CALL DGEMM('N','N',npw2, l, l, ONE, buffer1, npwx2, coord_psi, sbsize, ZERO, buffer, npwx2)
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CALL DGEMM('N','N',npw2, l, l, ONE, buffer1, npwx2, coord_psi, sbsize, ZERO, buffer, npwx2)
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! psi(:,col_idx(1:l)) = buffer(:,1:l) + p(:,col_idx(1:l))
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! psi(:,col_idx(1:l)) = buffer(:,1:l) + p(:,col_idx(1:l))
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call threaded_backassign( psi, act_idx, buffer, npwx, l, p )
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call threaded_backassign( psi, col_idx, buffer, npwx, l, p )
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call stop_clock('ppcg:dgemm')
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call stop_clock('ppcg:dgemm')
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!
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!
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call start_clock('ppcg:dgemm')
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call start_clock('ppcg:dgemm')
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call threaded_assign( buffer1, hpsi, npwx, l, col_idx )
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call threaded_assign( buffer1, hpsi, npwx, l, col_idx )
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CALL DGEMM('N','N',npw2, l, l, ONE, buffer1, npwx2, coord_psi, sbsize, ZERO, buffer, npwx2)
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CALL DGEMM('N','N',npw2, l, l, ONE, buffer1, npwx2, coord_psi, sbsize, ZERO, buffer, npwx2)
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! hpsi(:,col_idx(1:l)) = buffer(:,1:l) + hp(:,col_idx(1:l))
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! hpsi(:,col_idx(1:l)) = buffer(:,1:l) + hp(:,col_idx(1:l))
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call threaded_backassign( hpsi, act_idx, buffer, npwx, l, hp )
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call threaded_backassign( hpsi, col_idx, buffer, npwx, l, hp )
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call stop_clock('ppcg:dgemm')
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call stop_clock('ppcg:dgemm')
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!
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!
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if (overlap) then
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if (overlap) then
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@ -547,7 +547,7 @@ SUBROUTINE ppcg_gamma( h_psi, s_psi, overlap, precondition, &
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call threaded_assign( buffer1, spsi, npwx, l, col_idx )
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call threaded_assign( buffer1, spsi, npwx, l, col_idx )
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CALL DGEMM('N','N',npw2, l, l, ONE, buffer1, npwx2, coord_psi, sbsize, ZERO, buffer, npwx2)
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CALL DGEMM('N','N',npw2, l, l, ONE, buffer1, npwx2, coord_psi, sbsize, ZERO, buffer, npwx2)
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! spsi(:,col_idx(1:l)) = buffer(:,1:l) + sp(:,col_idx(1:l))
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! spsi(:,col_idx(1:l)) = buffer(:,1:l) + sp(:,col_idx(1:l))
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call threaded_backassign( spsi, act_idx, buffer, npwx, l, sp )
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call threaded_backassign( spsi, col_idx, buffer, npwx, l, sp )
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call stop_clock('ppcg:dgemm')
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call stop_clock('ppcg:dgemm')
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end if
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end if
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!
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!
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