Docker Container

Cocoa is distributed as Docker containers pre-built for a range of GPU and CPU architectures. This is the easiest way to get started without compiling from source.

Note

Cocoa computes in double precision; a few bandwidth-sensitive fields are stored in single precision internally (see Numerical Methods). This is built in and requires no configuration, so there is a single build per architecture rather than separate precision variants.

Image Families and Naming

Cocoa images are split into three families by accelerator toolchain, identified by the tag suffix. <tag> is the Cocoa release (for example latest or a version such as 1.0):

Image	Hardware	Base
cocoaorg/cocoa:<tag>-cpu	CPU only (x86-64 and ARM64)	Ubuntu
cocoaorg/cocoa:<tag>-cuda	NVIDIA GPUs (CUDA)	nvidia/cuda (Ubuntu)
cocoaorg/cocoa:<tag>-rocm	AMD GPUs (ROCm/HIP)	rocm/dev-ubuntu

The families are kept separate because the CUDA and ROCm toolkits are mutually exclusive at the hardware level and each is large; a host is either NVIDIA or AMD, so a combined image would only add bloat. Splitting the CPU build out of the GPU images also keeps CPU and CI users from pulling a multi-gigabyte GPU toolkit they will never use.

The -cpu image is a single multi-architecture tag: it carries both linux/amd64 and linux/arm64 variants behind one name, and docker pull automatically selects the one matching your host. The ARM64 variant runs natively on Apple Silicon Macs through Docker Desktop, as well as on AWS Graviton, Ampere Altra, and NVIDIA Grace.

The -cuda and -rocm images are GPU-only: they do not include a CPU fallback build. Use the -cpu image to run on a node without a supported GPU.

The Trilinos base images follow the same convention: zcobell/trilinos_base:<tag>-cpu, -cuda, and -rocm.

Supported Architectures

CPU (-cpu image, x86-64 and ARM64):

Architecture	Backend	ISA tuning
serial	Single-threaded	Haswell (x86-64) / Neoverse-N1 (ARM64)
openmp	Multi-threaded	Haswell (x86-64) / Neoverse-N1 (ARM64)

NVIDIA GPUs (-cuda image):

Architecture	Hardware	Compute Capability
volta70	NVIDIA Volta (V100)	7.0
turing75	NVIDIA Turing (T4)	7.5
ampere80	NVIDIA Ampere (A100)	8.0
ampere86	NVIDIA Ampere (A10)	8.6
ada89	NVIDIA Ada (L40S)	8.9
hopper90	NVIDIA Hopper (H100)	9.0
blackwell100	NVIDIA Blackwell (B100)	10.0

AMD GPUs (-rocm image):

Architecture	Hardware	GFX ISA
mi300	AMD Instinct MI300X / MI300A	gfx942
mi200	AMD Instinct MI210 / MI250 / MI250X	gfx90a

Within an image, the variant name is simply the architecture name, e.g., ampere80, mi300, or openmp.

Running the Container

CPU (x86-64 or ARM64, auto-selected):

docker run -it -v $(pwd):/workspace zcobell/cocoa:latest-cpu

NVIDIA GPU (requires the NVIDIA Container Toolkit):

docker run -it --gpus all -v $(pwd):/workspace zcobell/cocoa:latest-cuda

AMD GPU (requires the ROCm kernel driver on the host):

docker run -it --device=/dev/kfd --device=/dev/dri \
    --group-add video --security-opt seccomp=unconfined \
    -v $(pwd):/workspace zcobell/cocoa:latest-rocm

The -v $(pwd):/workspace flag mounts your current directory into the container’s working directory so Cocoa can access your mesh and configuration files.

Selecting a Variant

Each image bundles the variants for its own family and selects a sensible default: the -cpu image defaults to serial, while the GPU images default to a representative architecture (ampere80 for -cuda, mi200 for -rocm). Use the select_cocoa command to switch at runtime:

# List the variants available in this image
source select_cocoa --help

# NVIDIA: select the A100 backend (in the -cuda image)
source select_cocoa ampere80

# AMD: select the MI300 backend (in the -rocm image)
source select_cocoa mi300

# CPU: select the multi-threaded build (in the -cpu image)
source select_cocoa openmp

# Verify selection
which cocoa

A variant exists only in the image for its family – for example ampere80 is present only in -cuda and mi300 only in -rocm. The selection persists for the duration of the shell session. To set it at launch, pass the COCOA_ARCH environment variable:

# Run on an A100
docker run -it --gpus all -e COCOA_ARCH=ampere80 \
    -v $(pwd):/workspace zcobell/cocoa:latest-cuda

Running a Simulation

Once inside the container with the appropriate architecture selected:

cocoa -i your_config.yaml

An example simulation is included in the container at /opt/cocoa/examples:

cp -r /opt/cocoa/examples/* .
source select_cocoa serial
cocoa -i simple.yaml

See Quick Start for details on configuration files and expected output.

Converting ADCIRC Meshes

The container includes the cocoa_mesh_tools.py utility for converting ADCIRC model files to Cocoa’s NetCDF mesh format. Python 3 with netCDF4 and numpy are pre-installed.

Basic mesh conversion (fort.14 only):

python3 /opt/cocoa/utils/cocoa_mesh_tools.py from_adcirc \
    --mesh fort.14 \
    --output mesh.nc

With nodal attributes (fort.13):

python3 /opt/cocoa/utils/cocoa_mesh_tools.py from_adcirc \
    --mesh fort.14 \
    --attributes fort.13 \
    --output mesh.nc

With self-attraction and loading (fort.24):

python3 /opt/cocoa/utils/cocoa_mesh_tools.py from_adcirc \
    --mesh fort.14 \
    --attributes fort.13 \
    --sal fort.24 \
    --output mesh.nc

Table 2 Conversion Script Options

Flag	Required	Description
--mesh	Yes	Path to ADCIRC fort.14 mesh file
--output	Yes	Path for output NetCDF file
--attributes	No	Path to ADCIRC fort.13 nodal attributes file
--sal	No	Path to self-attraction/loading file (fort.24 ASCII or NetCDF)

See Mesh Preparation for details on the NetCDF mesh format and supported nodal attributes.

Mounting Data Volumes

Mount your simulation directory into the container so input files are accessible and output files persist after the container exits:

# Mount a single directory
docker run -it --gpus all \
    -v /path/to/simulation:/workspace \
    zcobell/cocoa:latest-cuda

# Mount input and output separately
docker run -it --gpus all \
    -v /path/to/meshes:/data/meshes:ro \
    -v /path/to/output:/workspace \
    zcobell/cocoa:latest-cuda

Tip

Use :ro (read-only) for input data mounts to prevent accidental modification of source files.

Non-Interactive Execution

Run a simulation without entering the container interactively:

docker run --gpus all \
    -v $(pwd):/workspace \
    -e COCOA_ARCH=ampere80 \
    zcobell/cocoa:latest-cuda \
    cocoa -i config.yaml

Building the Container

Each family is built in two stages: first the Trilinos base image, then the Cocoa image on top of it. The three families share one build context per image and select the family with a per-family Dockerfile (Dockerfile.cpu, Dockerfile.cuda, Dockerfile.rocm), so the build scripts and entrypoints are not duplicated. Substitute the family suffix throughout.

1. Build the Trilinos base image (example: CUDA):

cd containers/base_trilinos_container
docker build -f Dockerfile.cuda -t zcobell/trilinos_base:latest-cuda .

2. Build the Cocoa image:

cd containers/cocoa_container
DOCKER_BUILDKIT=1 docker build --ssh default \
    -f Dockerfile.cuda -t zcobell/cocoa:latest-cuda .

The --ssh default flag forwards your SSH agent for private repository access during the build. Ensure your SSH agent is running with the appropriate key loaded (ssh-add).

The -cpu family is multi-architecture. Build and push both platform variants under one tag with buildx:

cd containers/cocoa_container
docker buildx build --platform linux/amd64,linux/arm64 \
    -f Dockerfile.cpu -t zcobell/cocoa:latest-cpu --push .

On a cluster the build is driven by the SLURM batch scripts in containers/slurm/. submit_all.sh queues every family, making each Cocoa image depend on its Trilinos base; see those scripts for the exact buildx invocation and push steps.

Note

Building a GPU family compiles Trilinos and Cocoa once per architecture in that family, which is resource-intensive and may take several hours. The AMD (-rocm) images are currently validated by compilation; runtime validation on AMD hardware is ongoing. The ARM64 half of the -cpu build runs natively on an ARM64 builder or, more slowly, under qemu emulation.