Colocate Dask workers on Kubernetes while using nodes with multiple GPUs#
To optimize performance when working with nodes that have multiple GPUs, a best practice is to schedule Dask workers in a tightly grouped manner, thereby minimizing communication overhead between worker pods. This guide provides a step-by-step process for adding pod affinities to worker pods ensuring they are scheduled together as much as possible on Google Kubernetes Engine (GKE), but the principles can be adapted for use with other Kubernetes distributions.
Prerequisites#
First you’ll need to have the gcloud CLI tool installed along with kubectl, helm, etc for managing Kubernetes.
Ensure you are logged into the gcloud CLI.
$ gcloud init
Create the Kubernetes cluster#
Now we can launch a GPU enabled GKE cluster.
$ gcloud container clusters create rapids-gpu \
--accelerator type=nvidia-tesla-a100,count=2 --machine-type a2-highgpu-2g \
--zone us-central1-c --release-channel stable
With this command, you’ve launched a GKE cluster called rapids-gpu. You’ve specified that it should use nodes of type
a2-highgpu-2g, each with two A100 GPUs.
Install drivers#
Next, install the NVIDIA drivers onto each node.
$ kubectl apply -f https://raw.githubusercontent.com/GoogleCloudPlatform/container-engine-accelerators/master/nvidia-driver-installer/cos/daemonset-preloaded-latest.yaml
daemonset.apps/nvidia-driver-installer created
Verify that the NVIDIA drivers are successfully installed.
$ kubectl get po -A --watch | grep nvidia
kube-system nvidia-driver-installer-6zwcn 1/1 Running 0 8m47s
kube-system nvidia-driver-installer-8zmmn 1/1 Running 0 8m47s
kube-system nvidia-driver-installer-mjkb8 1/1 Running 0 8m47s
kube-system nvidia-gpu-device-plugin-5ffkm 1/1 Running 0 13m
kube-system nvidia-gpu-device-plugin-d599s 1/1 Running 0 13m
kube-system nvidia-gpu-device-plugin-jrgjh 1/1 Running 0 13m
After your drivers are installed, you are ready to test your cluster.
Let’s create a sample pod that uses some GPU compute to make sure that everything is working as expected.
$ cat << EOF | kubectl create -f -
apiVersion: v1
kind: Pod
metadata:
name: cuda-vectoradd
spec:
restartPolicy: OnFailure
containers:
- name: cuda-vectoradd
image: "nvidia/samples:vectoradd-cuda11.6.0-ubuntu18.04"
resources:
limits:
nvidia.com/gpu: 1
EOF
$ kubectl logs pod/cuda-vectoradd
[Vector addition of 50000 elements]
Copy input data from the host memory to the CUDA device
CUDA kernel launch with 196 blocks of 256 threads
Copy output data from the CUDA device to the host memory
Test PASSED
Done
If you see Test PASSED in the output, you can be confident that your Kubernetes cluster has GPU compute set up correctly.
Next, clean up that pod.
$ kubectl delete pod cuda-vectoradd
pod "cuda-vectoradd" deleted
Installing Dask operator with Helm#
The operator has a Helm chart which can be used to manage the installation of the operator. Follow the instructions provided in the Dask documention, or alternatively can be installed via:
$ helm install --create-namespace -n dask-operator --generate-name --repo https://helm.dask.org dask-kubernetes-operator
NAME: dask-kubernetes-operator-1666875935
NAMESPACE: dask-operator
STATUS: deployed
REVISION: 1
TEST SUITE: None
NOTES:
Operator has been installed successfully.
Configuring a RAPIDS DaskCluster#
To configure the DaskCluster resource to run RAPIDS you need to set a few things:
The container image must contain RAPIDS, the official RAPIDS container images are a good choice for this.
The Dask workers must be configured with one or more NVIDIA GPU resources.
The worker command must be set to
dask-cuda-worker.
Creating a RAPIDS DaskCluster using kubectl#
Here is an example resource manifest for launching a RAPIDS Dask cluster with worker pod affinity
# rapids-dask-cluster.yaml
apiVersion: kubernetes.dask.org/v1
kind: DaskCluster
metadata:
name: rapids-dask-cluster
labels:
dask.org/cluster-name: rapids-dask-cluster
spec:
worker:
replicas: 2
spec:
containers:
- name: worker
image: "nvcr.io/nvidia/rapidsai/base:24.10-cuda12.5-py3.12"
imagePullPolicy: "IfNotPresent"
args:
- dask-cuda-worker
- --name
- $(DASK_WORKER_NAME)
resources:
limits:
nvidia.com/gpu: "1"
affinity:
podAffinity:
preferredDuringSchedulingIgnoredDuringExecution:
- weight: 100
podAffinityTerm:
labelSelector:
matchExpressions:
- key: dask.org/component
operator: In
values:
- worker
topologyKey: kubernetes.io/hostname
scheduler:
spec:
containers:
- name: scheduler
image: "nvcr.io/nvidia/rapidsai/base:24.10-cuda12.5-py3.12"
imagePullPolicy: "IfNotPresent"
env:
args:
- dask-scheduler
ports:
- name: tcp-comm
containerPort: 8786
protocol: TCP
- name: http-dashboard
containerPort: 8787
protocol: TCP
readinessProbe:
httpGet:
port: http-dashboard
path: /health
initialDelaySeconds: 5
periodSeconds: 10
livenessProbe:
httpGet:
port: http-dashboard
path: /health
initialDelaySeconds: 15
periodSeconds: 20
resources:
limits:
nvidia.com/gpu: "1"
service:
type: ClusterIP
selector:
dask.org/cluster-name: rapids-dask-cluster
dask.org/component: scheduler
ports:
- name: tcp-comm
protocol: TCP
port: 8786
targetPort: "tcp-comm"
- name: http-dashboard
protocol: TCP
port: 8787
targetPort: "http-dashboard"
You can create this cluster with kubectl.
$ kubectl apply -f rapids-dask-cluster.yaml
Manifest breakdown#
Most of this manifest is explained in the Dask Operator documentation in the tools section of the RAPIDS documentation.
The only addition made to the example from the above documentation page is the following section in the worker configuration
# ...
affinity:
podAffinity:
preferredDuringSchedulingIgnoredDuringExecution:
- weight: 100
podAffinityTerm:
labelSelector:
matchExpressions:
- key: dask.org/component
operator: In
values:
- worker
topologyKey: kubernetes.io/hostname
# ...
For the Dask Worker pod configuration, we are setting a pod affinity using the name of the node as the topology key. Pod affinity in Kubernetes allows you to constrain which nodes the Pod can be scheduled on and allows you to configure a set of workloads that should be co-located in the same defined topology, in this case, preferring to place two worker pods on the same node. This is also intended to be a soft requirement as we are using the preferredDuringSchedulingIgnoredDuringExecution type of pod affinity. The Kubernetes scheduler tries to find a node which meets the rule. If a matching node is not available, the Kubernetes scheduler still schedules the pod on any available node. This ensures that you will not face any issues with the Dask cluster even if placing worker pods on nodes already in use is not possible.
Accessing your Dask cluster#
Once you have created your DaskCluster resource we can use kubectl to check the status of all the other resources it created for us.
$ kubectl get all -l dask.org/cluster-name=rapids-dask-cluster -o wide
NAME READY STATUS RESTARTS AGE IP NODE NOMINATED NODE READINESS GATES
pod/rapids-dask-cluster-default-worker-12a055b2db-7b5bf8f66c-9mb59 1/1 Running 0 2s 10.244.2.3 gke-rapids-gpu-1-default-pool-d85b49-2545 <none> <none>
pod/rapids-dask-cluster-default-worker-34437735ae-6fdd787f75-sdqzg 1/1 Running 0 2s 10.244.2.4 gke-rapids-gpu-1-default-pool-d85b49-2545 <none> <none>
pod/rapids-dask-cluster-scheduler-6656cb88f6-cgm4t 0/1 Running 0 3s 10.244.3.3 gke-rapids-gpu-1-default-pool-d85b49-2f31 <none> <none>
NAME TYPE CLUSTER-IP EXTERNAL-IP PORT(S) AGE SELECTOR
service/rapids-dask-cluster-scheduler ClusterIP 10.96.231.110 <none> 8786/TCP,8787/TCP 3s dask.org/cluster-name=rapids-dask-cluster,dask.org/component=scheduler
Here you can see our scheduler pod and two worker pods along with the scheduler service. The two worker pods are placed in the same node as desired, while the scheduler pod is placed on a different node.
If you have a Python session running within the Kubernetes cluster (like the example one on the Kubernetes page) you should be able to connect a Dask distributed client directly.
from dask.distributed import Client
client = Client("rapids-dask-cluster-scheduler:8786")
Alternatively if you are outside of the Kubernetes cluster you can change the Service to use LoadBalancer or NodePort or use kubectl to port forward the connection locally.
$ kubectl port-forward svc/rapids-dask-cluster-service 8786:8786
Forwarding from 127.0.0.1:8786 -> 8786
from dask.distributed import Client
client = Client("localhost:8786")
Example using KubeCluster#
In additon to creating clusters via kubectl you can also do so from Python with dask_kubernetes.operator.KubeCluster. This class implements the Dask Cluster Manager interface and under the hood creates and manages the DaskCluster resource for you. You can also generate a spec with make_cluster_spec() which KubeCluster uses internally and then modify it with your custom options. We will use this to add node affinity to the scheduler.
In the following example, the same cluster configuration as the kubectl example is used.
from dask_kubernetes.operator import KubeCluster, make_cluster_spec
spec = make_cluster_spec(
name="rapids-dask-cluster",
image="nvcr.io/nvidia/rapidsai/base:24.10-cuda12.5-py3.12",
n_workers=2,
resources={"limits": {"nvidia.com/gpu": "1"}},
worker_command="dask-cuda-worker",
)
To add the node affinity to the worker, you can create a custom dictionary specifying the type of pod affinity and the topology key.
affinity_config = {
"podAffinity": {
"preferredDuringSchedulingIgnoredDuringExecution": [
{
"weight": 100,
"podAffinityTerm": {
"labelSelector": {
"matchExpressions": [
{
"key": "dask.org/component",
"operator": "In",
"values": ["worker"],
}
]
},
"topologyKey": "kubernetes.io/hostname",
},
}
]
}
}
Now you can add this configuration to the spec created in the previous step, and create the Dask cluster using this custom spec.
spec["spec"]["worker"]["spec"]["affinity"] = affinity_config
cluster = KubeCluster(custom_cluster_spec=spec)
If we check with kubectl we can see the above Python generated the same DaskCluster resource as the kubectl example above.
$ kubectl get daskclusters
NAME AGE
rapids-dask-cluster 3m28s
$ kubectl get all -l dask.org/cluster-name=rapids-dask-cluster -o wide
NAME READY STATUS RESTARTS AGE IP NODE NOMINATED NODE READINESS GATES
pod/rapids-dask-cluster-default-worker-12a055b2db-7b5bf8f66c-9mb59 1/1 Running 0 2s 10.244.2.3 gke-rapids-gpu-1-default-pool-d85b49-2545 <none> <none>
pod/rapids-dask-cluster-default-worker-34437735ae-6fdd787f75-sdqzg 1/1 Running 0 2s 10.244.2.4 gke-rapids-gpu-1-default-pool-d85b49-2545 <none> <none>
pod/rapids-dask-cluster-scheduler-6656cb88f6-cgm4t 0/1 Running 0 3s 10.244.3.3 gke-rapids-gpu-1-default-pool-d85b49-2f31 <none> <none>
NAME TYPE CLUSTER-IP EXTERNAL-IP PORT(S) AGE SELECTOR
service/rapids-dask-cluster-scheduler ClusterIP 10.96.231.110 <none> 8786/TCP,8787/TCP 3s dask.org/cluster-name=rapids-dask-cluster,dask.org/component=scheduler
With this cluster object in Python we can also connect a client to it directly without needing to know the address as Dask will discover that for us. It also automatically sets up port forwarding if you are outside of the Kubernetes cluster.
from dask.distributed import Client
client = Client(cluster)
This object can also be used to scale the workers up and down.
cluster.scale(5)
And to manually close the cluster.
cluster.close()
Note
By default the KubeCluster command registers an exit hook so when the Python process exits the cluster is deleted automatically. You can disable this by setting KubeCluster(..., shutdown_on_close=False) when launching the cluster.
This is useful if you have a multi-stage pipeline made up of multiple Python processes and you want your Dask cluster to persist between them.
You can also connect a KubeCluster object to your existing cluster with cluster = KubeCluster.from_name(name="rapids-dask") if you wish to use the cluster or manually call cluster.close() in the future.