MDEngine
MD workbench for agents: 13 analysis tools, renders, hosted GPU runs; LAMMPS + OpenMM.
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MD workbench for agents: 13 analysis tools, renders, hosted GPU runs; LAMMPS + OpenMM.
Список инструментов сервера (12)
Технические названия из tools/list. Нужны только разработчикам.
| account | Balance in USD, how jobs are priced (`pricing.mode` job = the deck's own work in atom-steps at per-class prices, capped at wall_limit_s x rate; metered = per second of pod time), the rate table, and the key id of the API key in use. |
| submit_job | One call: create a hosted GPU job, upload the deck given INLINE as {relative_path: text}, and queue it. Total inline size <= 8 MB; for larger decks use create_job, PUT the tarball to upload_url, then start_job. Billing starts at the first heartbeat (state running) and stops at done/failed/cancelled. The deck is executed as a program on an isolated GPU pod. |
| create_job | Step 1 of the two-step path for big decks: validates the spec, reserves a job id, returns a presigned upload_url. PUT the deck as a .tar.gz (<= 2 GB, relative paths, input at `input`) to upload_url, then call start_job. |
| start_job | Step 2: queue a job whose deck tarball has been uploaded. A GPU pod is launched; billing starts when it reports running. |
| job_status | State (created|uploaded|queued|launching|running|uploading|done|failed|cancelled), GPU, rate, billed seconds, cost so far, exit code, error, last thermo lines. |
| job_log | The last <= 20 thermo/log lines the running pod reported (30 s heartbeat). Full log.lammps is in the results tarball. |
| job_results | For a done/failed job: a presigned download_url (valid ~7 days) for the results tarball (work/, log.lammps, exitcode). Results are deleted 30 days after the run. |
| list_jobs | Jobs of this API key, newest first. Compact rows (id, state, label, created, finished, gpu, cost_usd, error) unless full=true. |
| delete_results | For a finished job: delete its deck and results tarballs immediately instead of at the automatic 30-day purge. Metadata and billing records are kept; results can no longer be downloaded. |
| capabilities | Capability manifest of the hosted runners: LAMMPS version, installed packages, and every style by category with gpu=true (KOKKOS-accelerated) or gpu=false (exists, but runs on the pod's CPU cores at the GPU rate). Default = compact summary; runner=lammps&full=true returns the whole style table. Use preflight_deck to check a specific deck. |
| preflight_deck | Dry run of the check submit_job performs: which styles the deck asks for are MISSING on every hosted LAMMPS image (the run would exit at startup), which are CPU-only, whether its pair style will use the GPU at all, and which image (`runner`) the job will be routed to — decks needing packages beyond the fast default image run on lammps-full automatically. Nothing is created or billed. |
| cancel_job | Cancel a job that is not finished. A running job is billed up to the cancel time; its pod is terminated. |