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trainer/examples/flux/lammps-train-job.yaml
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Tariq HasanandGitHub 1f57df4484 ci(boilerplate): enhance copyright boilerplate enforcement (#3665)
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Signed-off-by: tariq-hasan <[email protected]>
2026-07-03 13:39:54 +00:00

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YAML

# Copyright The Kubeflow Authors.
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
# http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.
# This example deploys the LAMMPS Molecular Dynamic Simulator
# with MPI orchestrated by the Flux workload manager on 4 nodes.
# The problem size is defined by the coordinates x,y,z, and the
# parameter file reaxc.hns.
# The image has the application, LAMMPS, installed (no Flux)
# A Flux view will be added on the fly by the Kubeflow trainer
# Each pod ideally maps 1:1 to nodes, encompassing a cluster
# The underlying abstraction is a JobSet with a headless service
# Flux supports low-latency with Infiniband, EFA, etc., however
# standard ethernet is used here.
apiVersion: trainer.kubeflow.org/v1alpha1
kind: TrainJob
metadata:
name: lammps-flux
spec:
# Reference the pre-defined runtime by name
runtimeRef:
name: flux-distributed
trainer:
numNodes: 2
numProcPerNode: 4
image: ghcr.io/converged-computing/metric-lammps:latest
# You do not need to write "flux run, etc" here. It will be wrapped
command: ["lmp", "-v", "x", "4", "-v", "y", "4", "-v", "z", "4", "-in", "in.reaxc.hns", "-nocite"]
# See flux-interactive.yaml for running the above interactively.
# This is how we match the view (operating system and version) of the initContainer to install Flux
env:
- name: FLUX_VIEW_IMAGE
value: ghcr.io/converged-computing/flux-view-ubuntu:tag-jammy