use mpi4py.run to avoid deadlocks in calling SumkDFTWorkers

issp-center-dev · Dec 4, 2024 · b4b0951 · b4b0951
1 parent 50eb627
commit b4b0951
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/dcore/sumkdft_workers/launcher.py b/src/dcore/sumkdft_workers/launcher.py
@@ -62,7 +62,7 @@ def run_sumkdft(runner_cls, model_file, work_dir, mpirun_command, params):
     with HDFArchive('./input.h5', 'w') as h:
         h['params'] = params
 
-    commands = [sys.executable, "-m", "dcore.sumkdft_workers.mpi_main"]
+    commands = [sys.executable, "-m", "mpi4py", "-m", "dcore.sumkdft_workers.mpi_main"]
     commands.append(runner_cls)
     commands.append(model_file)
     commands.append(os.path.abspath('./input.h5'))