Merge pull request #153 from issp-center-dev/mpi4py_run

Avoid deadlocks in calling SumkDFTWorkers
issp-center-dev · Dec 4, 2024 · 54819d9 · 54819d9
2 parents 828b134 + b5af871
commit 54819d9
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'))