diff --git a/.ci_support/environment-mpich.yml b/.ci_support/environment-mpich.yml index 8c6cb282..2875f21b 100644 --- a/.ci_support/environment-mpich.yml +++ b/.ci_support/environment-mpich.yml @@ -6,6 +6,6 @@ dependencies: - mpich =4.2.2 - numpy =1.26.4 - mpi4py =4.0.0 -- executorlib =0.0.2 +- executorlib =0.0.3 - ase =3.23.0 - scipy =1.14.1 diff --git a/.ci_support/environment-old.yml b/.ci_support/environment-old.yml index f2f61454..11ab944c 100644 --- a/.ci_support/environment-old.yml +++ b/.ci_support/environment-old.yml @@ -5,6 +5,6 @@ dependencies: - openmpi - numpy =1.23.5 - mpi4py =3.1.4 -- executorlib =0.0.1 +- executorlib =0.0.3 - ase =3.23.0 - scipy =1.9.3 diff --git a/.ci_support/environment-openmpi.yml b/.ci_support/environment-openmpi.yml index 1925c12f..06b48856 100644 --- a/.ci_support/environment-openmpi.yml +++ b/.ci_support/environment-openmpi.yml @@ -6,6 +6,6 @@ dependencies: - openmpi =5.0.5 - numpy =1.26.4 - mpi4py =4.0.0 -- executorlib =0.0.2 +- executorlib =0.0.3 - ase =3.23.0 - scipy =1.14.1 diff --git a/binder/environment.yml b/binder/environment.yml index c5896b53..64b7cf1d 100644 --- a/binder/environment.yml +++ b/binder/environment.yml @@ -5,6 +5,6 @@ dependencies: - numpy =1.26.4 - lammps =2024.06.27 - mpi4py =4.0.0 -- executorlib =0.0.2 +- executorlib =0.0.3 - ase =3.23.0 - scipy =1.14.1 diff --git a/pylammpsmpi/wrapper/concurrent.py b/pylammpsmpi/wrapper/concurrent.py index 405ed810..7cecb2e1 100644 --- a/pylammpsmpi/wrapper/concurrent.py +++ b/pylammpsmpi/wrapper/concurrent.py @@ -9,7 +9,7 @@ from typing import Any, List, Optional from executorlib.shared import ( - MpiExecInterface, + MpiExecSpawner, RaisingThread, cancel_items_in_queue, interface_bootup, @@ -55,10 +55,10 @@ def execute_async( cmds.extend(cmdargs) interface = interface_bootup( command_lst=cmds, - connections=MpiExecInterface( + connections=MpiExecSpawner( cwd=cwd, cores=cores, - oversubscribe=oversubscribe, + openmpi_oversubscribe=oversubscribe, ), ) while True: diff --git a/pyproject.toml b/pyproject.toml index cc33f41b..693d1364 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -25,7 +25,7 @@ classifiers = [ ] dependencies = [ "mpi4py==4.0.0", - "executorlib==0.0.2", + "executorlib==0.0.3", "numpy==1.26.4", ] dynamic = ["version"]