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Improved parallelism in davidson

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This commit is contained in:
Anthony Scemama 2016-12-15 12:10:43 +01:00
parent c911db7f8e
commit bbc6065f25
1 changed files with 3 additions and 3 deletions
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6
src/Davidson/u0Hu0.irp.f
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@ -324,7 +324,7 @@ subroutine H_S2_u_0_nstates(v_0,s_0,u_0,H_jj,S2_jj,n,keys_tmp,Nint,N_st,sze_8)
PROVIDE ref_bitmask_energy
allocate (shortcut(0:n+1,2), sort_idx(n,2), sorted(Nint,n,2), version(Nint,n,2))
allocate(ut(N_st_8,n))
allocate( ut(N_st_8,n))
v_0 = 0.d0
s_0 = 0.d0
@ -347,7 +347,7 @@ subroutine H_S2_u_0_nstates(v_0,s_0,u_0,H_jj,S2_jj,n,keys_tmp,Nint,N_st,sze_8)
enddo
!$OMP END DO
!$OMP DO SCHEDULE(dynamic)
!$OMP DO SCHEDULE(dynamic)
do sh=1,shortcut(0,2)
do i=shortcut(sh,2),shortcut(sh+1,2)-1
org_i = sort_idx(i,2)
@ -380,7 +380,7 @@ subroutine H_S2_u_0_nstates(v_0,s_0,u_0,H_jj,S2_jj,n,keys_tmp,Nint,N_st,sze_8)
enddo
!$OMP END DO
!$OMP DO SCHEDULE(dynamic)
!$OMP DO SCHEDULE(static,1) COLLAPSE(2)
do sh=1,shortcut(0,1)
do sh2=1,shortcut(0,1)
if (sh==sh2) cycle