Update example tester

edan-bainglass · Feb 18, 2024 · 5e5a996 · 5e5a996
1 parent a1dac8e
commit 5e5a996
Showing 1 changed file with 10 additions and 5 deletions.
diff --git 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\")"
    ]
   },
   {
@@ -183,13 +180,20 @@
    "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",
     "        \"resources\": {\n",
     "            \"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",