From b4b0951c92c9032cf0bee368e7dff4b3fa98b952 Mon Sep 17 00:00:00 2001 From: Yuichi Motoyama Date: Wed, 4 Dec 2024 15:03:20 +0900 Subject: [PATCH] use mpi4py.run to avoid deadlocks in calling SumkDFTWorkers --- src/dcore/sumkdft_workers/launcher.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/dcore/sumkdft_workers/launcher.py b/src/dcore/sumkdft_workers/launcher.py index 949a725d..20d8bbd4 100644 --- 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'))