Tar generator timings.

mlspm/data_generation.py

@@ -206,9 +206,9 @@ def _load_samples(self, sample_lists: list[TarSampleList], i_proc: int, event: m
         proc_id = str(time.time_ns() + 1000000000 * i_proc)[-10:]
         print(f"Starting worker {i_proc}, id {proc_id}")
 
-        if self._timings:
-            start_time = time.perf_counter()
-            n_sample_tot = 0
+        start_time = time.perf_counter()
+        total_bytes = 0
+        n_sample_total = 0
 
         for sample_list in sample_lists:
 
@@ -240,9 +240,11 @@ def _load_samples(self, sample_lists: list[TarSampleList], i_proc: int, event: m
                 rots = sample_list["rots"][i_sample]
                 pot, lvec_pot, xyzs, Zs = self._get_data(tar_hartree, name_list_hartree[i_sample])
                 pot *= -1  # Unit conversion, eV -> V
+                total_bytes += pot.nbytes
                 if use_rho:
                     rho, lvec_rho, _, _ = self._get_data(tar_rho, name_list_rho[i_sample])
                     rho_shape = rho.shape
+                    total_bytes += rho.nbytes
                 else:
                     lvec_rho = None
                     rho_shape = None
@@ -272,7 +274,7 @@ def _load_samples(self, sample_lists: list[TarSampleList], i_proc: int, event: m
 
                 if self._timings:
                     t3 = time.perf_counter()
-                    n_sample_tot += 1
+                    n_sample_total += 1
                     print(
                         f"[Worker {i_proc}, id {sample_id_pot}] Get data / Shm / Wait-unlink: "
                         f"{t1 - t0:.5f} / {t2 - t1:.5f} / {t3 - t2:.5f} "
@@ -290,7 +292,10 @@ def _load_samples(self, sample_lists: list[TarSampleList], i_proc: int, event: m
 
         if self._timings:
             dt = time.perf_counter() - start_time
-            print(f"[Worker {i_proc}]: Loaded {n_sample_tot} samples in {dt}s. Average load time: {dt / n_sample_tot}s.")
+            print(
+                f"[Worker {i_proc}]: Loaded {n_sample_total} samples in {dt}s, totaling {total_bytes / 2**30:.3f}GiB. "
+                f"Average load time: {dt / n_sample_total}s."
+            )
 
     def _get_queue_sample(self):
 
@@ -331,19 +336,24 @@ def _get_queue_sample(self):
 
     def _yield_samples(self):
 
-        for _ in range(len(self)):
+        start_time = time.perf_counter()
+        n_sample_yielded = 0
+
+        n_sample_total = sum([len(sample_list["rots"]) for sample_list in self.samples])
+
+        for _ in range(n_sample_total):
 
             if self._timings:
                 t0 = time.perf_counter()
 
             i_proc, xyzs, Zs, rots, pot, shm_pot, rho, shm_rho, sample_id = self._get_queue_sample()
-
             if self._timings:
                 t1 = time.perf_counter()
 
             for rot in rots:
                 sample_dict = {"xyzs": xyzs, "Zs": Zs, "qs": pot, "rho_sample": rho, "rot": rot}
                 yield sample_dict
+                n_sample_yielded += 1
 
             if self._timings:
                 t2 = time.perf_counter()
@@ -358,6 +368,10 @@ def _yield_samples(self):
                 t3 = time.perf_counter()
                 print(f"[Main, id {sample_id}] Receive data / Yield / Event: " f"{t1 - t0:.5f} / {t2 - t1:.5f} / {t3 - t2:.5f}")
 
+        if self._timings:
+            dt = time.perf_counter() - start_time
+            print(f"[Main]: Yielded {n_sample_yielded} samples in {dt}s. Average yield time: {dt / n_sample_yielded}s.")
+
 
 def _put_to_shared_memory(array, name):
     shm = mp.shared_memory.SharedMemory(create=True, size=array.nbytes, name=name)