spack

Spack

We will be doing this from the command line. The AMI we want is ami-012fb2a3ce1880d5d. Note that the prices range from $1.60 - $1.80 an hour, so about $38-$43 dollars a day.

aws ec2 describe-instance-type-offerings --location-type availability-zone --filters Name=instance-type,Values=hpc7g.* --region us-east-1 --query InstanceTypeOfferings[*].[InstanceType,Location]

[
    [
        "hpc7g.16xlarge",
        "us-east-1a"
    ],
    [
        "hpc7g.8xlarge",
        "us-east-1a"
    ],
    [
        "hpc7g.4xlarge",
        "us-east-1a"
    ]
]

aws ec2 run-instances --image-id ami-0f85557b566aa0d20 --region us-east-1 --count 1 --instance-type hpc7g.16xlarge --key-name dinosaur --security-group-ids sg-0c0a804da857da410  --subnet-id subnet-0b0e2408f9960d3f6

Note that the subnet ID will associate you with an availability zone. In this case we needed us-east-1a (where the instance is shown to be above).

Building

Shell into the instance with your PEM:

ssh -o 'IdentitiesOnly yes' -i path-to-key.pem [email protected]

And then install docker and update:

sudo yum update -y
sudo yum install -y docker
sudo systemctl start docker
sudo usermod -aG docker $USER
sudo setfacl --modify user:ec2-user:rw /var/run/docker.sock

At this point give it a test!

docker run hello-world

If that works, we are good to build here. Let's run this in a screen because we can expect our credential to expire or otherwise get kicked off.

sudo yum install -y screen
screen

Clone the repository:

sudo yum install -y git
git clone https://github.com/rse-ops/flux-arm
cd flux-arm/spack

The default cpu arch is already set to arm, so we don't need to set the build arg.

$ docker buildx build --platform linux/arm64 --tag ghcr.io/rse-ops/flux-arm-spack:arm64 .

At this point you can tag for the date too, and push both (you'll need to add credentials to the instance)

docker tag ghcr.io/rse-ops/flux-arm-spack:arm64 ghcr.io/rse-ops/flux-arm-spack:spack-0.19.0
docker push ghcr.io/rse-ops/flux-arm-spack --all-tags

Finally, let's create a quick Dockerfile that adds lammps on top (this uses the image we just built above for a base):

$ docker buildx build -f Dockerfile.lammps --platform linux/arm64 --tag ghcr.io/rse-ops/flux-arm-lammps:arm64 .

Also tag and push!

docker tag ghcr.io/rse-ops/flux-arm-lammps:arm64 ghcr.io/rse-ops/flux-arm-lammps:spack-0.19.0
docker push ghcr.io/rse-ops/flux-arm-lammps --all-tags

And that's it! You can exit and delete the instance. That was SO FAST.

Notes about the following tags:

• flux-arm-spack:spack-0.20.0 / July 14th build did not work (an MPI PMIX error)
• July 15th build reverted to spack 0.19 and tried to add new libfabrics.