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flux implementation - support communication over the network #119

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Merged
merged 1 commit into from
Jul 11, 2023
Merged

flux implementation - support communication over the network #119

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6 changes: 5 additions & 1 deletion pylammpsmpi/mpi/lmpmpi.py
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Original file line number Diff line number Diff line change
Expand Up @@ -463,7 +463,11 @@ def _run_lammps_mpi(argument_lst):
context = zmq.Context()
socket = context.socket(zmq.PAIR)
port_selected = argument_lst[argument_lst.index("--zmqport") + 1]
socket.connect("tcp://localhost:" + port_selected)
if "--host" in argument_lst:
host = argument_lst[argument_lst.index("--host") + 1]
else:
host = "localhost"
socket.connect("tcp://" + host + ":" + port_selected)
else:
context, socket = None, None
# Lammps executable
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6 changes: 6 additions & 0 deletions pylammpsmpi/utils/lammps.py
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Expand Up @@ -3,6 +3,7 @@
# Distributed under the terms of "New BSD License", see the LICENSE file.

import os
import socket
from pympipool import SocketInterface


Expand Down Expand Up @@ -39,6 +40,11 @@ def _initialize_socket(
"--zmqport",
str(port_selected),
]
if enable_flux_backend:
cmds += [
"--host",
socket.gethostname(),
]
if cmdargs is not None:
cmds.extend(cmdargs)
interface.bootup(command_lst=cmds, cwd=cwd)
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