From b22c835ec8d415c7cecfa76ab98ea6ed9f4903f2 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 3 Apr 2024 16:59:15 +0200 Subject: [PATCH] Add nthreads_pt2 to (T) --- src/ccsd/ccsd_t_space_orb_stoch.irp.f | 4 +++- src/{cipsi_utils => ezfio_files}/environment.irp.f | 0 2 files changed, 3 insertions(+), 1 deletion(-) rename src/{cipsi_utils => ezfio_files}/environment.irp.f (100%) diff --git a/src/ccsd/ccsd_t_space_orb_stoch.irp.f b/src/ccsd/ccsd_t_space_orb_stoch.irp.f index 293baa2d..618d50e4 100644 --- a/src/ccsd/ccsd_t_space_orb_stoch.irp.f +++ b/src/ccsd/ccsd_t_space_orb_stoch.irp.f @@ -110,6 +110,7 @@ subroutine ccsd_par_t_space_stoch(nO,nV,t1,t2,f_o,f_v,v_vvvo,v_vvoo,v_vooo,energ double precision :: eocc double precision :: norm integer :: isample + PROVIDE nthreads_pt2 ! Prepare table of triplets (a,b,c) @@ -216,11 +217,12 @@ subroutine ccsd_par_t_space_stoch(nO,nV,t1,t2,f_o,f_v,v_vvvo,v_vvoo,v_vooo,energ print '(A)', ' ======================= ============== ==========' + call set_multiple_levels_omp(.False.) call wall_time(t00) imin = 1_8 !$OMP PARALLEL & !$OMP PRIVATE(ieta,eta,a,b,c,kiter,isample) & - !$OMP DEFAULT(SHARED) + !$OMP DEFAULT(SHARED) NUM_THREADS(nthreads_pt2) do kiter=1,Nabc diff --git a/src/cipsi_utils/environment.irp.f b/src/ezfio_files/environment.irp.f similarity index 100% rename from src/cipsi_utils/environment.irp.f rename to src/ezfio_files/environment.irp.f