mirror of https://gitlab.com/QEF/q-e.git
- further OpenMP parallelization, no fortran lines have been changed,
so no new bug is expected for non OpenMP build. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5718 c92efa57-630b-4861-b058-cf58834340f0
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@ -350,7 +350,8 @@ SUBROUTINE v_xc( rho, rho_core, rhog_core, etxc, vtxc, v )
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!
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! ... spin-unpolarized case
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!
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!$omp parallel do private( rhox, arhox, ex, ec, vx, vc ), reduction(+:etxc,vtxc,rhoneg)
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!$omp parallel do private( rhox, arhox, ex, ec, vx, vc ), &
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!$omp reduction(+:etxc,vtxc), reduction(-:rhoneg)
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DO ir = 1, nrxx
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!
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rhox = rho%of_r(ir,1) + rho_core(ir)
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@ -378,6 +379,8 @@ SUBROUTINE v_xc( rho, rho_core, rhog_core, etxc, vtxc, v )
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!
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! ... spin-polarized case
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!
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!$omp parallel do private( rhox, arhox, zeta, ex, ec, vx, vc ), &
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!$omp reduction(+:etxc,vtxc), reduction(-:rhoneg)
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DO ir = 1, nrxx
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!
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rhox = rho%of_r(ir,1) + rho%of_r(ir,2) + rho_core(ir)
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@ -404,6 +407,7 @@ SUBROUTINE v_xc( rho, rho_core, rhog_core, etxc, vtxc, v )
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END IF
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!
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END DO
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!$omp end parallel do
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!
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ELSE IF ( nspin == 4 ) THEN
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!
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