From 991c198220d75cf87301479d2fff618dcfe2b8c4 Mon Sep 17 00:00:00 2001 From: ydamour Date: Fri, 19 Nov 2021 22:53:05 +0100 Subject: [PATCH] davidson with IRPF90 flags for multiple levels omp --- src/davidson/davidson_parallel.irp.f | 3 ++- src/davidson/davidson_parallel_csf.irp.f | 4 +++- src/davidson/davidson_parallel_nos2.irp.f | 4 +++- 3 files changed, 8 insertions(+), 3 deletions(-) diff --git a/src/davidson/davidson_parallel.irp.f b/src/davidson/davidson_parallel.irp.f index 8fd023da..fcee16bc 100644 --- a/src/davidson/davidson_parallel.irp.f +++ b/src/davidson/davidson_parallel.irp.f @@ -508,7 +508,8 @@ subroutine H_S2_u_0_nstates_zmq(v_0,s_0,u_0,N_st,sze) endif - call omp_set_max_active_levels(5) + !call omp_set_max_active_levels(5) + call set_multiple_levels_omp() !$OMP PARALLEL DEFAULT(shared) NUM_THREADS(2) PRIVATE(ithread) ithread = omp_get_thread_num() diff --git a/src/davidson/davidson_parallel_csf.irp.f b/src/davidson/davidson_parallel_csf.irp.f index fe651b1d..90e4303e 100644 --- a/src/davidson/davidson_parallel_csf.irp.f +++ b/src/davidson/davidson_parallel_csf.irp.f @@ -464,7 +464,9 @@ subroutine H_u_0_nstates_zmq(v_0,u_0,N_st,sze) print *, irp_here, ': Failed in zmq_set_running' endif - call omp_set_max_active_levels(4) + !call omp_set_max_active_levels(4) + call set_multiple_levels_omp() + !$OMP PARALLEL DEFAULT(shared) NUM_THREADS(2) PRIVATE(ithread) ithread = omp_get_thread_num() if (ithread == 0 ) then diff --git a/src/davidson/davidson_parallel_nos2.irp.f b/src/davidson/davidson_parallel_nos2.irp.f index 84cbe3af..091b8666 100644 --- a/src/davidson/davidson_parallel_nos2.irp.f +++ b/src/davidson/davidson_parallel_nos2.irp.f @@ -464,7 +464,9 @@ subroutine H_u_0_nstates_zmq(v_0,u_0,N_st,sze) print *, irp_here, ': Failed in zmq_set_running' endif - call omp_set_max_active_levels(4) + !call omp_set_max_active_levels(4) + call set_multiple_levels_omp() + !$OMP PARALLEL DEFAULT(shared) NUM_THREADS(2) PRIVATE(ithread) ithread = omp_get_thread_num() if (ithread == 0 ) then