diff --git a/examples/coulomb_blockade/tester.ipynb b/examples/coulomb_blockade/tester.ipynb index e203d35..e4323e2 100644 --- a/examples/coulomb_blockade/tester.ipynb +++ b/examples/coulomb_blockade/tester.ipynb @@ -29,7 +29,7 @@ "cell_type": "markdown", "metadata": {}, "source": [ - "# Global parameters" + "# Data source" ] }, { @@ -38,10 +38,7 @@ "metadata": {}, "outputs": [], "source": [ - "DATA_DIR = Path(\"pentacene/data\")\n", - "NPROCS = 1\n", - "OMP_NUM_THREADS = 1\n", - "NUMBA_NUM_THREADS = NPROCS" + "DATA_DIR = Path(\"pentacene/data\")" ] }, { @@ -183,6 +180,12 @@ "metadata": {}, "outputs": [], "source": [ + "h, m, s = 1, 0, 0\n", + "\n", + "NPROCS = 1\n", + "OMP_NUM_THREADS = 1\n", + "NUMBA_NUM_THREADS = NPROCS\n", + "\n", "metadata = {\n", " \"options\": {\n", " \"withmpi\": False,\n", @@ -190,6 +193,7 @@ " \"num_machines\": 1,\n", " \"num_mpiprocs_per_machine\": NPROCS,\n", " },\n", + " \"max_wallclock_seconds\": h * 3600 + m * 60 + s,\n", " \"environment_variables\": {\n", " \"OMP_NUM_THREADS\": OMP_NUM_THREADS,\n", " \"NUMBA_NUM_THREADS\": NUMBA_NUM_THREADS,\n", @@ -223,6 +227,7 @@ " \"structure\": device_structure,\n", " \"kpoints\": device_kpoints,\n", " \"parameters\": device_parameters,\n", + " \"metadata\": metadata,\n", " },\n", " },\n", " \"scattering\": {\n",