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trainer/examples/flux/lammps-train-gpus.yaml
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Tariq HasanandGitHub 1f57df4484 ci(boilerplate): enhance copyright boilerplate enforcement (#3665)
* ci(boilerplate): enforce copyright headers on YAML files

Signed-off-by: tariq-hasan <[email protected]>

* ci(boilerplate): enforce year-less header for new files

Signed-off-by: tariq-hasan <[email protected]>

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Signed-off-by: tariq-hasan <[email protected]>
2026-07-03 13:39:54 +00:00

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1.9 KiB
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 was developed on AWS g4dn.xlarge, Tesla T4 GPUs
# eksctl create cluster --config-file ./eks-config-gpu.yaml
# eksctl delete cluster --config-file ./eks-config-gpu.yaml --wait
# apiVersion: eksctl.io/v1alpha5
# kind: ClusterConfig
# metadata:
# name: gpu-cluster
# region: us-east-2
# nodeGroups:
# - name: hpsf-gpu-workers
# instanceType: g4dn.xlarge
# minSize: 2
# maxSize: 2
# desiredCapacity: 2
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: 1
image: ghcr.io/flux-framework/tutorials:gpu-lammps-hwloc
# You do not need to write "flux run, etc" here. It will be wrapped
command: [lmp_gpu, -k, "on", g, "8", "-sf", "kk", "-pk", "kokkos", "cuda/aware", "off", "newton", "on", neigh, half, -in, in.reaxff.hns, -v, "x", "8", -v, "y", "8", -v, z, "16", "-in", in.reaxff.hns, "-nocite"]
resourcesPerNode:
limits:
nvidia.com/gpu: "1"
requests:
nvidia.com/gpu: "1"
env:
- name: OMPI_MCA_btl
value: tcp,self
# This is how we match the view (operating system and version) of the initContainer to install Flux
- name: FLUX_VIEW_IMAGE
value: ghcr.io/converged-computing/flux-view-ubuntu:tag-jammy