Fix output_dir bug in parallel scripts

edan-bainglass · Feb 18, 2024 · 2206440 · 2206440
1 parent a809dd0
commit 2206440
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Showing 2 changed files with 7 additions and 12 deletions.
diff --git a/examples/coulomb_blockade/pentacene/hybr.py b/examples/coulomb_blockade/pentacene/hybr.py
@@ -31,9 +31,8 @@ def hybridize_orbitals(
 ) -> None:
     """docstring"""
 
-    if comm.rank == 0:
-        output_dir = Path("results")
-        output_dir.mkdir(exist_ok=True)
+    output_dir = Path("results")
+    output_dir.mkdir(exist_ok=True)
 
     gf = greenfunction.GreenFunction(
         hs_list_ii,

diff --git a/examples/coulomb_blockade/pentacene/trans.py b/examples/coulomb_blockade/pentacene/trans.py
@@ -31,12 +31,11 @@ def compute_transmission(
 ) -> None:
     """docstring"""
 
-    if comm.rank == 0:
-        output_dir = Path("results")
-        output_dir.mkdir(exist_ok=True)
+    output_dir = Path("results")
+    output_dir.mkdir(exist_ok=True)
 
-        transmission_dir = output_dir / TRANSMISSION_DIRNAME
-        transmission_dir.mkdir(exist_ok=True)
+    transmission_dir = output_dir / TRANSMISSION_DIRNAME
+    transmission_dir.mkdir(exist_ok=True)
 
     gf = greenfunction.GreenFunction(
         hs_list_ii,
@@ -57,9 +56,6 @@ class DataSelfEnergy(BaseDataSelfEnergy):
         def retarded(self, energy):
             return expand(s1, super().retarded(energy), i1)
 
-    def load(filename):
-        return DataSelfEnergy(energies, np.load(filename))
-
     def run(filepath: Path):
         gd = GridDesc(energies, 1, float)
         T = np.empty(gd.energies.size)
@@ -73,7 +69,7 @@ def run(filepath: Path):
             np.save(transmission_dir / filepath, T.real)
 
     for filename in Path(sigma_folder_path).glob("dmu_*"):
-        dmft_self_energy = load(filename)
+        dmft_self_energy = DataSelfEnergy(energies, np.load(filename))
         gf.selfenergies.append((1, dmft_self_energy))
         run(filename)
         gf.selfenergies.pop()