From 7e617bee131ccd63c90394e26ae82acf454c166e Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Tue, 28 Mar 2023 13:24:28 +0200 Subject: [PATCH] COLLAPSE --- external/qp2-dependencies | 2 +- src/bi_ort_ints/three_body_ijmk.irp.f | 12 ++++++------ src/bi_ort_ints/three_body_ijmkl.irp.f | 12 ++++++------ 3 files changed, 13 insertions(+), 13 deletions(-) diff --git a/external/qp2-dependencies b/external/qp2-dependencies index f40bde09..ce14f57b 160000 --- a/external/qp2-dependencies +++ b/external/qp2-dependencies @@ -1 +1 @@ -Subproject commit f40bde0925808bbec0424b57bfcef1b26473a1c8 +Subproject commit ce14f57b50511825a9fedb096749200779d3f4d4 diff --git a/src/bi_ort_ints/three_body_ijmk.irp.f b/src/bi_ort_ints/three_body_ijmk.irp.f index 853972f7..5afd49ab 100644 --- a/src/bi_ort_ints/three_body_ijmk.irp.f +++ b/src/bi_ort_ints/three_body_ijmk.irp.f @@ -27,7 +27,7 @@ BEGIN_PROVIDER [ double precision, three_e_4_idx_direct_bi_ort, (mo_num, mo_num, !$OMP DEFAULT (NONE) & !$OMP PRIVATE (i,j,k,m,integral) & !$OMP SHARED (mo_num,three_e_4_idx_direct_bi_ort) - !$OMP DO SCHEDULE (dynamic) + !$OMP DO SCHEDULE (dynamic) COLLAPSE(2) do i = 1, mo_num do k = 1, mo_num do j = 1, mo_num @@ -74,7 +74,7 @@ BEGIN_PROVIDER [ double precision, three_e_4_idx_cycle_1_bi_ort, (mo_num, mo_num !$OMP DEFAULT (NONE) & !$OMP PRIVATE (i,j,k,m,integral) & !$OMP SHARED (mo_num,three_e_4_idx_cycle_1_bi_ort) - !$OMP DO SCHEDULE (dynamic) + !$OMP DO SCHEDULE (dynamic) COLLAPSE(2) do i = 1, mo_num do k = 1, mo_num do j = 1, mo_num @@ -121,7 +121,7 @@ BEGIN_PROVIDER [ double precision, three_e_4_idx_cycle_2_bi_ort, (mo_num, mo_num !$OMP DEFAULT (NONE) & !$OMP PRIVATE (i,j,k,m,integral) & !$OMP SHARED (mo_num,three_e_4_idx_cycle_2_bi_ort) - !$OMP DO SCHEDULE (dynamic) + !$OMP DO SCHEDULE (dynamic) COLLAPSE(2) do i = 1, mo_num do k = 1, mo_num do j = 1, mo_num @@ -168,7 +168,7 @@ BEGIN_PROVIDER [ double precision, three_e_4_idx_exch23_bi_ort, (mo_num, mo_num, !$OMP DEFAULT (NONE) & !$OMP PRIVATE (i,j,k,m,integral) & !$OMP SHARED (mo_num,three_e_4_idx_exch23_bi_ort) - !$OMP DO SCHEDULE (dynamic) + !$OMP DO SCHEDULE (dynamic) COLLAPSE(2) do i = 1, mo_num do k = 1, mo_num do j = 1, mo_num @@ -214,7 +214,7 @@ BEGIN_PROVIDER [ double precision, three_e_4_idx_exch13_bi_ort, (mo_num, mo_num, !$OMP DEFAULT (NONE) & !$OMP PRIVATE (i,j,k,m,integral) & !$OMP SHARED (mo_num,three_e_4_idx_exch13_bi_ort) - !$OMP DO SCHEDULE (dynamic) + !$OMP DO SCHEDULE (dynamic) COLLAPSE(2) do i = 1, mo_num do k = 1, mo_num do j = 1, mo_num @@ -261,7 +261,7 @@ BEGIN_PROVIDER [ double precision, three_e_4_idx_exch12_bi_ort, (mo_num, mo_num, !$OMP DEFAULT (NONE) & !$OMP PRIVATE (i,j,k,m,integral) & !$OMP SHARED (mo_num,three_e_4_idx_exch12_bi_ort) - !$OMP DO SCHEDULE (dynamic) + !$OMP DO SCHEDULE (dynamic) COLLAPSE(2) do i = 1, mo_num do k = 1, mo_num do j = 1, mo_num diff --git a/src/bi_ort_ints/three_body_ijmkl.irp.f b/src/bi_ort_ints/three_body_ijmkl.irp.f index bd5c4977..ae4c9bd5 100644 --- a/src/bi_ort_ints/three_body_ijmkl.irp.f +++ b/src/bi_ort_ints/three_body_ijmkl.irp.f @@ -26,7 +26,7 @@ BEGIN_PROVIDER [ double precision, three_e_5_idx_direct_bi_ort, (mo_num, mo_num, !$OMP DEFAULT (NONE) & !$OMP PRIVATE (i,j,k,m,l,integral) & !$OMP SHARED (mo_num,three_e_5_idx_direct_bi_ort) - !$OMP DO SCHEDULE (dynamic) + !$OMP DO SCHEDULE (dynamic) COLLAPSE(2) do i = 1, mo_num do k = 1, mo_num do j = 1, mo_num @@ -75,7 +75,7 @@ BEGIN_PROVIDER [ double precision, three_e_5_idx_cycle_1_bi_ort, (mo_num, mo_num !$OMP DEFAULT (NONE) & !$OMP PRIVATE (i,j,k,m,l,integral) & !$OMP SHARED (mo_num,three_e_5_idx_cycle_1_bi_ort) - !$OMP DO SCHEDULE (dynamic) + !$OMP DO SCHEDULE (dynamic) COLLAPSE(2) do i = 1, mo_num do k = 1, mo_num do j = 1, mo_num @@ -124,7 +124,7 @@ BEGIN_PROVIDER [ double precision, three_e_5_idx_cycle_2_bi_ort, (mo_num, mo_num !$OMP DEFAULT (NONE) & !$OMP PRIVATE (i,j,k,m,l,integral) & !$OMP SHARED (mo_num,three_e_5_idx_cycle_2_bi_ort) - !$OMP DO SCHEDULE (dynamic) + !$OMP DO SCHEDULE (dynamic) COLLAPSE(2) do i = 1, mo_num do k = 1, mo_num do j = 1, mo_num @@ -173,7 +173,7 @@ BEGIN_PROVIDER [ double precision, three_e_5_idx_exch23_bi_ort, (mo_num, mo_num, !$OMP DEFAULT (NONE) & !$OMP PRIVATE (i,j,k,m,l,integral) & !$OMP SHARED (mo_num,three_e_5_idx_exch23_bi_ort) - !$OMP DO SCHEDULE (dynamic) + !$OMP DO SCHEDULE (dynamic) COLLAPSE(2) do i = 1, mo_num do k = 1, mo_num do j = 1, mo_num @@ -222,7 +222,7 @@ BEGIN_PROVIDER [ double precision, three_e_5_idx_exch13_bi_ort, (mo_num, mo_num, !$OMP DEFAULT (NONE) & !$OMP PRIVATE (i,j,k,m,l,integral) & !$OMP SHARED (mo_num,three_e_5_idx_exch13_bi_ort) - !$OMP DO SCHEDULE (dynamic) + !$OMP DO SCHEDULE (dynamic) COLLAPSE(2) do i = 1, mo_num do k = 1, mo_num do j = 1, mo_num @@ -271,7 +271,7 @@ BEGIN_PROVIDER [ double precision, three_e_5_idx_exch12_bi_ort, (mo_num, mo_num, !$OMP DEFAULT (NONE) & !$OMP PRIVATE (i,j,k,m,l,integral) & !$OMP SHARED (mo_num,three_e_5_idx_exch12_bi_ort) - !$OMP DO SCHEDULE (dynamic) + !$OMP DO SCHEDULE (dynamic) COLLAPSE(2) do i = 1, mo_num do k = 1, mo_num do j = 1, mo_num