From 4e28e25caf85918e759b079e027a608c521410bc Mon Sep 17 00:00:00 2001 From: bastonero Date: Mon, 27 Nov 2023 17:32:52 +0000 Subject: [PATCH] Fix overrides test --- tests/workflows/protocols/test_hubbard/test_default.yml | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/tests/workflows/protocols/test_hubbard/test_default.yml b/tests/workflows/protocols/test_hubbard/test_default.yml index 59bad83..f2297fe 100644 --- a/tests/workflows/protocols/test_hubbard/test_default.yml +++ b/tests/workflows/protocols/test_hubbard/test_default.yml @@ -20,7 +20,7 @@ hubbard_structure: CoLiO2 max_iterations: 10 meta_convergence: true radial_analysis: - nn_finder: 'crystal' + nn_finder: crystal radius_max: 10.0 thr: 0.01 relax: @@ -34,6 +34,7 @@ relax: max_wallclock_seconds: 43200 resources: num_machines: 1 + num_mpiprocs_per_machine: 1 withmpi: true parameters: CELL: @@ -73,6 +74,7 @@ scf: max_wallclock_seconds: 43200 resources: num_machines: 1 + num_mpiprocs_per_machine: 1 withmpi: true parameters: CONTROL: