From eaaf864f2852626d969dd7f3208605c92689c328 Mon Sep 17 00:00:00 2001 From: Yann Garniron Date: Mon, 3 Oct 2016 14:48:43 +0200 Subject: [PATCH] incorrect nproc in davidson --- src/Davidson/davidson_parallel.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/Davidson/davidson_parallel.irp.f b/src/Davidson/davidson_parallel.irp.f index 9b5130bc..2c1d7edc 100644 --- a/src/Davidson/davidson_parallel.irp.f +++ b/src/Davidson/davidson_parallel.irp.f @@ -364,7 +364,7 @@ subroutine davidson_run(zmq_to_qp_run_socket , v0, s0) PROVIDE nproc - !$OMP PARALLEL DEFAULT(shared) private(i) num_threads(3) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!! NPROC !!!!! + !$OMP PARALLEL DEFAULT(shared) private(i) num_threads(nproc+2) i = omp_get_thread_num() if (i==0) then call davidson_collector(zmq_collector, zmq_socket_pull , v0, s0)