From 9aac7e8bfd082a3b8bdc900daad1a70506397b78 Mon Sep 17 00:00:00 2001 From: Timo Reents Date: Thu, 7 Dec 2023 16:51:19 +0100 Subject: [PATCH] Fix tests. --- tests/workflows/protocols/hp/test_base/test_default.yml | 3 +++ tests/workflows/protocols/hp/test_main/test_default.yml | 3 +++ tests/workflows/protocols/test_hubbard/test_default.yml | 5 +++++ 3 files changed, 11 insertions(+) diff --git a/tests/workflows/protocols/hp/test_base/test_default.yml b/tests/workflows/protocols/hp/test_base/test_default.yml index 75c8b3b..f6f7742 100644 --- a/tests/workflows/protocols/hp/test_base/test_default.yml +++ b/tests/workflows/protocols/hp/test_base/test_default.yml @@ -9,7 +9,10 @@ hp: withmpi: true parameters: INPUTHP: + alpha_mix(1): 0.4 conv_thr_chi: 5.0e-06 + niter_max: 200 + nmix: 8 qpoints: - - 2 - 2 diff --git a/tests/workflows/protocols/hp/test_main/test_default.yml b/tests/workflows/protocols/hp/test_main/test_default.yml index 6b15aa1..8b3d0a1 100644 --- a/tests/workflows/protocols/hp/test_main/test_default.yml +++ b/tests/workflows/protocols/hp/test_main/test_default.yml @@ -9,7 +9,10 @@ hp: withmpi: true parameters: INPUTHP: + alpha_mix(1): 0.4 conv_thr_chi: 5.0e-06 + niter_max: 200 + nmix: 8 settings: parent_folder_symlink: true parallelize_atoms: true diff --git a/tests/workflows/protocols/test_hubbard/test_default.yml b/tests/workflows/protocols/test_hubbard/test_default.yml index ee18383..010c091 100644 --- a/tests/workflows/protocols/test_hubbard/test_default.yml +++ b/tests/workflows/protocols/test_hubbard/test_default.yml @@ -10,7 +10,10 @@ hubbard: withmpi: true parameters: INPUTHP: + alpha_mix(1): 0.4 conv_thr_chi: 5.0e-06 + niter_max: 200 + nmix: 8 settings: parent_folder_symlink: true parallelize_atoms: true @@ -30,6 +33,7 @@ relax: max_wallclock_seconds: 43200 resources: num_machines: 1 + num_mpiprocs_per_machine: 1 withmpi: true parameters: CELL: @@ -69,6 +73,7 @@ scf: max_wallclock_seconds: 43200 resources: num_machines: 1 + num_mpiprocs_per_machine: 1 withmpi: true parameters: CONTROL: