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Parallel Works Workflows

The home of the Parallel Works / ACTIVATE platform workflows.

One workflow = one directory under workflows/: the variant YAMLs (in yamls/), the runtime files (controller.sh/start-template.sh + support files, in app/ or an implementation subdir — the only subtree checked out at run time), README, build tooling, and marketplace thumbnails (in thumbnails/) all live together. There are no version suffixes — every file is the latest version; git tags version the repo. Every workflow but activate-batch, 3dcs and benchmarks serves through the pw endpoint pattern; those three run batch jobs to completion, as does probe's general_run_tests.yaml; physicsnemo runs its training to completion and serves TensorBoard beside it.

How this repo was assembled, and where anything older lives, is recorded in MIGRATION.md.

Workflow index

Workflow What it serves Variants
3dcs 3DCS Monte Carlo / contributor analysis split over N SLURM workers, merged and uploaded to a bucket, with node-hour metering (no endpoint) general
activate-batch Batch job: a list of commands run on the login node or via SLURM/PBS (no endpoint) general, hsp
agent-orchestrator Multi-agent orchestrator service general
app-testbed Multi-site client-server pattern: a placeholder server behind a fixed endpoint, workers on other sites through SSH tunnels (login node or SLURM/PBS job) general
benchmarks MPI and file system benchmarks: IMB-MPI1 PingPong and Alltoall, IOR, mdtest, one per run as a SLURM/PBS job, with the figures as outputs general, hsp, noaa
burst-render-demo Multi-site burst demo: Mandelbrot tiles rendered on N sites in parallel, assembled live in a dashboard general, hsp, noaa
dask-slurm Dask cluster on SLURM: adaptive dask-jobqueue workers, the Dask dashboard as endpoint, demo workloads general, hsp, noaa
design-explorer Design Explorer's parallel coordinates over a design study, any directory of evaluated cases (params.in, results.out, images), such as a doe-openfoam or dakota-openfoam run: inputs and outputs as brushable axes, each design's images as thumbnails general
doe Design of experiments sampler (Latin hypercube, Sobol, random, full factorial, one at a time, or your own cases as CSV): one params.in case directory per design, for any evaluator (no endpoint) general
doe-openfoam Design of experiments over the NACA airfoil case (Latin hypercube, Sobol, random, full factorial, one at a time, or your own cases as CSV): every design an openfoam-naca call in parallel, the results as a table and, with images on, Design Explorer over the study as an endpoint general, hsp, noaa
filebrowser File Browser web file manager (Docker) general
h2o H2O-3 node with its Flow UI general, hsp, noaa
hermes-agent Hermes agent with auth/TCP proxies general
hpc_status HPC Status Monitor: fleet status, topology, queues, quota and storage dashboard over every cluster pw reaches, at a stable status-<user> address general, hsp, noaa
jupyter Jupyter Notebook (classic) general, emed, noaa
jupyterlab JupyterLab general, emed, hsp, noaa, general_k8s, k8s
kasmvnc KasmVNC desktop (Singularity) general, general_rstudio, emed, emed_{rstudio, matlab, firefox, fsl, schrodinger, vmd}, hsp, noaa, noaa_rstudio, general_k8s, k8s
langflow-singularity Langflow (Singularity) hsp
librechat LibreChat (+ -all stacks with manager & Langflow) general, hsp, general-all, hsp-all
lite-agent Lightweight agent worker general
marimo marimo notebooks (edit or run mode) general, hsp, noaa
metabase Metabase BI server (Docker) on a compute cluster or Kubernetes general, general_k8s
mlflow MLflow tracking server (UI + REST API) on a compute cluster or Kubernetes general, hsp, noaa, k8s, general_k8s
monte-carlo-pricing Multi-site Monte Carlo option pricing (Asian, European, barrier): batches of paths simulated on N sites in parallel, the price converging live in a dashboard general
n8n n8n automation (Docker/Singularity) general, emed, hsp, noaa
ollama Ollama GGUF model server (native/container) general, hsp, noaa
ollama-openwebui Ollama + OpenWebUI on Kubernetes k8s
open-notebook Open Notebook (Docker) general
openvscode OpenVSCode Server general, emed, hsp, noaa, general_k8s, k8s
physicsnemo NVIDIA PhysicsNeMo training in the NGC container (Docker or Singularity, GPU or CPU) on the login node or as a SLURM/PBS job: Darcy FNO, Darcy Transolver, LDC PINN or your own script, with TensorBoard live as an endpoint general
postgres PostgreSQL server (Docker) on a compute cluster or Kubernetes, with the pgweb SQL client as the endpoint and the database reachable over TCP general, general_k8s
probe PROBE: runs a platform's workflow tests from their definitions repository (probe-tests-activate-parallel-works for activate.parallel.works), records the results in a bucket and serves the results dashboards general, general_run_tests (batch, no endpoint)
pydio-cells Pydio Cells file sharing and collaboration platform with MySQL (Docker), a host directory as its Data Directory workspace general
rag-service RAG search/index service general
rag-vllm vLLM inference server + optional RAG stack general, hsp, noaa
ray-cluster Multi-site Ray cluster: head and live dashboard on one resource, SLURM/PBS/SSH workers on any others general, hsp, noaa, general_add_worker, hsp_add_worker, noaa_add_worker
streamlit Streamlit apps (Singularity) general, hsp
vncserver Host desktop (KasmVNC, no container) emed, emed_{rstudio, matlab, firefox, fsl, schrodinger, vmd}
webshell Web terminal (ttyd) general, noaa

librechat-singularity-manager is a component of the librechat -all workflows (workflows/librechat/librechat-singularity-manager/).

Shared subworkflow (referenced by the workflow YAMLs via uses: github/parallelworks/workflows@canary + $yaml:):

Shared tools — tools/ (tools/oras, tools/utils) are sparse-checked-out next to workflows/<name> at runtime; scripts reference them as tools/... relative to the run directory.

Tests — each workflow's end-to-end tests live under workflows/<name>/tests/<variant>/; layout, runner and results are documented in tools/tests/README.md.

Tutorials — tutorials/ are staged, runnable lessons that build a small demo app (demo-app/) into a full workflow: endpoint-workflows/ (the current pw endpoints pattern, stages 1–7 incl. matrix fan-out, first-start-wins, and failover) and session-workflows-hsp/ (the same journey, HSP-flavored, in the older form the upgrade playbook converts). if-conditions/ is a short standalone lesson on the if: status keywords (always, never, completed, error, canceled and their negations) on steps and on jobs.

Variants

general targets standard cloud/on-prem SLURM & PBS clusters. emed, hsp, and noaa are platform-deployment variants with their own schedulers, defaults, and network constraints — they can only be run from those platforms. *k8s* variants target Kubernetes clusters (.claude/skills/activate-workflows/references/k8s-workflows.md).

Running a workflow

From a machine with the pw CLI authenticated:

pw workflows run "$PWD/workflows/webshell/yamls/general.yaml" -i '{"cluster":{"resource":"<cluster-name>","scheduler":false}}'

(Pass the YAML as an absolute path — the CLI parses relative paths as git hosts.)

When testing a workflow, also verify cleanup: cancel a run mid-flight and confirm nothing is left behind (processes, scheduler jobs, containers), and delete test endpoints when done — see DeveloperGuide.md.

Every endpoint workflow registers a pw endpoint (check pw endpoints list); activate-batch, 3dcs and benchmarks run their batch jobs to completion instead. Note that workflow YAMLs pull this repo from GitHub at runtime (parallelworks/checkout + subworkflow uses:), so local YAML edits only take full effect once pushed to the referenced branch (canary).

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