From 57baf7a8112dffaebebf6fa26da1c1b940ba3151 Mon Sep 17 00:00:00 2001
From: srmnitc <sarath.r.menon@gmail.com>
Date: Tue, 21 Dec 2021 19:39:44 +0100
Subject: [PATCH 1/2] add local option

---
 pylammpsmpi/lammps_wrapper.py | 1 +
 pylammpsmpi/utils/lammps.py   | 9 +++++++--
 2 files changed, 8 insertions(+), 2 deletions(-)

diff --git a/pylammpsmpi/lammps_wrapper.py b/pylammpsmpi/lammps_wrapper.py
index 57d48d70..cf744634 100644
--- a/pylammpsmpi/lammps_wrapper.py
+++ b/pylammpsmpi/lammps_wrapper.py
@@ -33,6 +33,7 @@ def __init__(self, cores=1, working_directory=".", client=None, mode="local"):
                 LammpsBase,
                 cores=self.cores,
                 working_directory=self.working_directory,
+                local=False,
                 actor=True,
             )
             self.lmp = fut.result()
diff --git a/pylammpsmpi/utils/lammps.py b/pylammpsmpi/utils/lammps.py
index 4b54fe44..76002f67 100644
--- a/pylammpsmpi/utils/lammps.py
+++ b/pylammpsmpi/utils/lammps.py
@@ -20,17 +20,22 @@
 
 
 class LammpsBase:
-    def __init__(self, cores=8, working_directory="."):
+    def __init__(self, cores=8, working_directory=".", local=True):
         self.cores = cores
         self.working_directory = working_directory
         self._process = None
+        self.local = local
 
     def start_process(self):
         executable = os.path.join(
             os.path.dirname(os.path.abspath(__file__)), "../mpi", "lmpmpi.py"
         )
+        if self.local:
+            command_array = ["mpiexec", "-n", str(self.cores), "python", executable]
+        else:
+            command_array = ["mpiexec", "--oversubscribe", "-n", str(self.cores), "python", executable] 
         self._process = subprocess.Popen(
-            ["mpiexec", "--oversubscribe", "-n", str(self.cores), "python", executable],
+            command_array,
             stdout=subprocess.PIPE,
             stderr=None,
             stdin=subprocess.PIPE,

From 5d459ce67838731aabd59071430e20f04ad57c5f Mon Sep 17 00:00:00 2001
From: Jan Janssen <jan-janssen@users.noreply.github.com>
Date: Fri, 4 Mar 2022 11:04:51 -0700
Subject: [PATCH 2/2] black

---
 pylammpsmpi/utils/lammps.py | 9 ++++++++-
 1 file changed, 8 insertions(+), 1 deletion(-)

diff --git a/pylammpsmpi/utils/lammps.py b/pylammpsmpi/utils/lammps.py
index 76002f67..2e844e02 100644
--- a/pylammpsmpi/utils/lammps.py
+++ b/pylammpsmpi/utils/lammps.py
@@ -33,7 +33,14 @@ def start_process(self):
         if self.local:
             command_array = ["mpiexec", "-n", str(self.cores), "python", executable]
         else:
-            command_array = ["mpiexec", "--oversubscribe", "-n", str(self.cores), "python", executable] 
+            command_array = [
+                "mpiexec",
+                "--oversubscribe",
+                "-n",
+                str(self.cores),
+                "python",
+                executable,
+            ]
         self._process = subprocess.Popen(
             command_array,
             stdout=subprocess.PIPE,