From 750c227e23433e37ef27c2f231a18972e2c4a8dd Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Sun, 8 Nov 2020 16:52:39 +0100 Subject: [PATCH] Introduced pt2_min_parallel_tasks --- src/cipsi/pt2_stoch_routines.irp.f | 7 +++++-- src/perturbation/EZFIO.cfg | 6 ++++++ 2 files changed, 11 insertions(+), 2 deletions(-) diff --git a/src/cipsi/pt2_stoch_routines.irp.f b/src/cipsi/pt2_stoch_routines.irp.f index 31f27e1d..0966039b 100644 --- a/src/cipsi/pt2_stoch_routines.irp.f +++ b/src/cipsi/pt2_stoch_routines.irp.f @@ -17,9 +17,12 @@ END_PROVIDER pt2_F(:) = int(sqrt(float(pt2_n_tasks_max))) do i=1,pt2_n_0(1+pt2_N_teeth/4) - pt2_F(i) = pt2_n_tasks_max + pt2_F(i) = pt2_n_tasks_max*pt2_min_parallel_tasks enddo - do i=1+pt2_n_0(pt2_N_teeth-pt2_N_teeth/4), N_det_generators + do i=1+pt2_n_0(pt2_N_teeth-pt2_N_teeth/4), pt2_n_0(pt2_N_teeth-pt2_N_teeth/10) + pt2_F(i) = pt2_min_parallel_tasks + enddo + do i=1+pt2_n_0(pt2_N_teeth-pt2_N_teeth/10), N_det_generators pt2_F(i) = 1 enddo diff --git a/src/perturbation/EZFIO.cfg b/src/perturbation/EZFIO.cfg index 168c3b0d..f4bd8e65 100644 --- a/src/perturbation/EZFIO.cfg +++ b/src/perturbation/EZFIO.cfg @@ -16,6 +16,12 @@ doc: The selection process stops when the largest variance (for all the state) i interface: ezfio,provider,ocaml default: 0.0 +[pt2_min_parallel_tasks] +type: integer +doc: Minimum number of tasks in PT2 calculation +interface: ezfio,provider,ocaml +default: 1 + [pt2_relative_error] type: Normalized_float doc: Stop stochastic |PT2| when the relative error is smaller than `pT2_relative_error`