diff --git a/.docker/tests/test_aiida.py b/.docker/tests/test_aiida.py index 0d473b27..8b38f005 100644 --- a/.docker/tests/test_aiida.py +++ b/.docker/tests/test_aiida.py @@ -22,9 +22,19 @@ def test_computer_setup_success(aiida_exec, container_user): assert "Failed" not in output -# def test_run_real_sssp_measure_precision_verification(aiida_exec, container_user): -# cmd = "aiida-sssp-workflow launch --property measure.precision --pw-code pw-7.1@localhost --ecutwfc 30 --ecutrho 240 --protocol test --configuration BCC --withmpi True --num-mpiprocs 1 --npool 1 --no-daemon -- /opt/examples/Si.paw.z_4.ld1.psl.v1.0.0-high.upf" -# -# output = aiida_exec(cmd, user=container_user).decode().strip() -# -# print(output) +# slow +def test_run_real_sssp_measure_precision_verification(aiida_exec, container_user): + cmd = "aiida-sssp-workflow launch --property measure.precision --pw-code pw-7.2@localhost --ecutwfc 30 --ecutrho 240 --protocol test --configuration BCC --withmpi True --num-mpiprocs 1 --npool 1 --no-daemon -- /opt/examples/Si.paw.z_4.ld1.psl.v1.0.0-high.upf" + + output = aiida_exec(cmd, user=container_user).decode().strip() + + assert "Success: calculated on property: measure.precision" in output + + +# slow +def test_run_real_sssp_convergence_verification(aiida_exec, container_user): + cmd = "aiida-sssp-workflow launch --property convergence --pw-code pw-7.2@localhost --ph-code ph-7.2@localhost --protocol test --cutoff-control test --criteria efficiency --withmpi True --num-mpiprocs 2 --npool 1 --no-daemon -- /opt/examples/Si.paw.z_4.ld1.psl.v1.0.0-high.upf" + + output = aiida_exec(cmd, user=container_user).decode().strip() + + assert "Success" in output