From bbc6065f25a4647f136d8a5ed327d283696431e1 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 15 Dec 2016 12:10:43 +0100 Subject: [PATCH] Improved parallelism in davidson --- src/Davidson/u0Hu0.irp.f | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/Davidson/u0Hu0.irp.f b/src/Davidson/u0Hu0.irp.f index 117e704e..9c097c49 100644 --- a/src/Davidson/u0Hu0.irp.f +++ b/src/Davidson/u0Hu0.irp.f @@ -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