From 794cbcdd687f185ffb05c9d7352b9748e8d088ce Mon Sep 17 00:00:00 2001
From: derlk <kacper.derlatka@pega.com>
Date: Sat, 30 Sep 2023 04:23:24 +0200
Subject: [PATCH] add simulation file

---
 examples/simulation_runner.py | 139 ++++++++++++++++++++++++++++++++++
 1 file changed, 139 insertions(+)
 create mode 100644 examples/simulation_runner.py

diff --git a/examples/simulation_runner.py b/examples/simulation_runner.py
new file mode 100644
index 0000000..4630ce6
--- /dev/null
+++ b/examples/simulation_runner.py
@@ -0,0 +1,139 @@
+import os
+import sys
+
+import numpy as np
+from pathlib import Path
+from typing import Any, Dict, Optional
+import argparse
+import json
+from datetime import datetime
+
+import time
+import mpi4py
+import numba_mpi
+
+from PyMPDATA import Options
+
+import scenarios
+from PyMPDATA_MPI.domain_decomposition import subdomain
+from PyMPDATA_MPI.hdf_storage import HDFStorage
+from PyMPDATA_MPI.utils import setup_dataset_and_sync_all_workers
+
+DATASET_PATH = "datasets/"
+
+
+class SimulationModel:
+    def __init__(
+            self,
+            parameters: Optional[Dict[str, Any]] = None,
+    ):
+        self.parameters = parameters
+        scenario_class = getattr(scenarios, parameters["scenario"])
+        self.simulation = scenario_class(
+            mpdata_options=Options(**parameters["mpdata_options"]),
+            n_threads=parameters["n_threads"],
+            grid=parameters["grid"],
+            size=numba_mpi.size(),
+            courant_field_multiplier=parameters["courant_field"],
+            rank=numba_mpi.rank(),
+        )
+        if numba_mpi.rank() == 0:
+            print("creating dataset: " + parameters["output_datafile"])
+            HDFStorage.create_dataset(
+                name=parameters["dataset_name"],
+                path=Path(parameters["output_datafile"]),
+                grid=parameters["grid"],
+                steps=parameters["output_steps"],
+            )
+        numba_mpi.barrier()
+        self.storage = HDFStorage.mpi_context(parameters["output_datafile"], "r+", mpi4py.MPI.COMM_WORLD)
+
+    def __call__(self):
+        steps = self.parameters["output_steps"]
+        x_range = slice(
+            *subdomain(self.parameters["grid"][0], numba_mpi.rank(), numba_mpi.size())
+        )
+        print("grid: ", self.parameters["grid"], ' x_range: ', x_range)
+        # start1 = time.time()
+        # dataset = self.storage
+        dataset = setup_dataset_and_sync_all_workers(
+            self.storage, self.parameters["dataset_name"]
+        )
+        start = time.time()
+        exec_time = self.simulation.advance(
+            dataset=dataset, output_steps=steps, x_range=x_range
+        )
+        print("after")
+        # print("exec_time: ", exec_time)
+        return exec_time / 1000000, time.time() - start
+
+
+def benchmark(grids):
+    """
+    Returns:
+        dict: Dictionary containing the results. Keys are the grid dimentions, values are longest timestep in simulation
+    """
+    results = {}
+    for i, grid in enumerate(grids):
+        for k in range(2):
+            # range(2) because of first run being a warmup
+            model = SimulationModel(
+                parameters={
+                    "scenario": "CartesianScenario",
+                    "mpdata_options": {"n_iters": 1},
+                    "n_threads": 1,
+                    "grid": grid,
+                    "courant_field": (0.5, 0.5),
+                    "output_steps": (36,),
+                    "output_datafile": DATASET_PATH + datetime.now().strftime("%Y_%m_%d_%H_%M_%S") + "_output_psi_" + str(
+                        i) + '_' + str(k) + ".hdf5",
+                    "dataset_name": "psi",
+                }
+            )
+            result = model()
+            walltime = np.array([result[0]], dtype=np.float64).astype(np.float64)
+            times_array = np.empty((numba_mpi.size(),) if numba_mpi.rank() == 0 else (0,), dtype=np.float64).astype(
+                dtype=np.float64)
+            numba_mpi.gather(walltime, times_array, 1, 0)
+            print("exec time ", float(result[0]), ' time.time: ', result[1], " rank: ", numba_mpi.rank())
+            if k == 1 and numba_mpi.rank() == 0:
+                print("maximum walltime per node: ", times_array)
+                results[str(grid)] = np.average(times_array)
+            numba_mpi.barrier()
+    return results
+
+
+def type_tuple(string):
+    """Convert comma-separated string to tuple."""
+    return tuple(map(int, string.split(',')))
+
+
+if __name__ == "__main__":
+    if not os.path.exists(DATASET_PATH):
+        os.makedirs(DATASET_PATH)
+
+    parser = argparse.ArgumentParser()
+    parser.add_argument('--grid', type=type_tuple, help="input grid for simulation")
+    parser.add_argument('--output', type=str, help="name of .json file for saved results")
+    args = parser.parse_args()
+    grid = (args.grid,)
+    output = args.output
+
+    results = benchmark(grid)
+    if numba_mpi.rank() == 0:
+        grid = grid[0]
+
+        if os.path.exists(output):
+            with open(output, 'r') as file:
+                try:
+                    data = json.load(file)
+                except json.JSONDecodeError:
+                    data = {}
+        else:
+            data = {}
+        print(data)
+        data[str(numba_mpi.size())] = results[str(grid)] \
+            if results[str(grid)] < data.get(str(numba_mpi.size()), sys.maxsize) else data[str(numba_mpi.size())]
+        print(data)
+        with open(output, 'w') as f:
+            json.dump(data, f)