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add nightly tests
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unkcpz committed Nov 15, 2023
1 parent 99634a2 commit 82f65ab
Showing 1 changed file with 16 additions and 6 deletions.
22 changes: 16 additions & 6 deletions .docker/tests/test_aiida.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

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