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Merge branch 'omp-reduction-minus' into 'develop' 

OpenMP reduction deprecated minus operator.

See merge request QEF/q-e!2319
This commit is contained in:
Ye Luo 2024-04-05 20:33:35 +00:00
parent 6cb7dc89b7 4ce4661a0b
commit 93d9597e23
3 changed files with 6 additions and 6 deletions
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2
Modules/mm_dispersion.f90
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@ -366,7 +366,7 @@ MODULE london_module
!
CALL rgen ( dtau, r_cut, mxr, at, bg, r, dist2, nrm )
!
!$omp parallel do private(nr,dist,dist6,f_damp) default(shared), reduction(-:energy_london)
!$omp parallel do private(nr,dist,dist6,f_damp) default(shared), reduction(+:energy_london)
DO nr = 1 , nrm
!
dist = alat * sqrt ( dist2 ( nr ) )

8
Modules/tsvdw.f90
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@ -1450,7 +1450,7 @@ PRIVATE :: GetVdWParam
!
!$omp parallel do private(dq,dqA,dqAs,dqAmic,ir,dk1,rhoA,drhoA, &
!$omp off1,dptmp1,dptmp2,dptmp3,dptmp4,dVAdRA,dptmp5,i,j), &
!$omp reduction(-:dveffdh),reduction(+:dveffdR)
!$omp reduction(+:dveffdh),reduction(+:dveffdR)
DO iq=1,NsomegaAr(ia)
!
! Compute global/cell reference frame Cartesian coordinates of given real-space grid point...
@ -1575,7 +1575,7 @@ PRIVATE :: GetVdWParam
!
!$omp parallel do private(dqB,dqBs,dqBmic,ir,dk1,rhoB,drhoB,dVAdRB,dVBdRA, &
!$omp i,j,ib,ibs,spcutB,spdB,ioff,boff), &
!$omp reduction(+:dveffdR),reduction(-:dveffdh)
!$omp reduction(+:dveffdR),reduction(+:dveffdh)
DO ipair=1,npair(ia)
!
! Connect pair number with atom...
@ -1894,8 +1894,8 @@ PRIVATE :: GetVdWParam
!$omp dAB,dAB2,FDVi,FDRi,FDRii,FCVi,FRRi,FRRii,n1,n2,n3,dsAB,dABimg2, &
!$omp dABimg,dABimgn1,dABimgn2,dABimgn5,dABimgn6,edamp,fdamp,fdamp2,dptmp1, &
!$omp dptmp2,i,j,vtmp1,vtmp2,D1A,D2A,D1B,D2B,D12A,D12B,ic), &
!$omp reduction(-:EtsvdW_period),reduction(+:FtsvdW_period), &
!$omp reduction(+:HtsvdW_period),reduction(-:predveffAdn_period)
!$omp reduction(+:EtsvdW_period),reduction(+:FtsvdW_period), &
!$omp reduction(+:HtsvdW_period),reduction(+:predveffAdn_period)
!$omp do
DO ib=1,nat
!

2
PW/src/force_us.f90
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@ -281,7 +281,7 @@ SUBROUTINE force_us( forcenl )
#if defined(_OPENACC)
!$acc parallel loop collapse(2) reduction(+:forcenl_ipol)
#else
!$omp parallel do default(shared) private(ibnd_loc,ibnd,ih) reduction(-:forcenl_ipol)
!$omp parallel do default(shared) private(ibnd_loc,ibnd,ih) reduction(+:forcenl_ipol)
#endif
DO ih = 1, nh_nt
DO ibnd_loc = 1, becp_nbnd_loc