このMCPでできること
Runs hosted GPU molecular-dynamics workloads using LAMMPS or OpenMM, with deck validation, job management, logs, billing, and downloadable results.
機能
ツール
12
ツール
account
Account balance and pricing
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.
読み取り専用
外部アクセスあり
冪等
入力スキーマ
{'type': 'object', 'properties': {}}
cancel_job
Cancel job
Cancel a job that is not finished. A running job is billed up to the cancel time; its pod is terminated.
破壊的操作あり
外部アクセスあり
冪等
入力スキーマ
{'type': 'object', 'required': ['id'], 'properties': {'id': {'type': 'string', 'description': 'Job id, e.g. MDJOB-20260907-3F200C'}}}
capabilities
What the runner can do
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.
読み取り専用
外部アクセスあり
冪等
入力スキーマ
{'type': 'object', 'properties': {'full': {'type': 'boolean', 'description': 'Include the full style table (large)'}, 'runner': {'type': 'string', 'description': 'lammps | openmm; omit for all'}}}
create_job
Create a job (returns upload URL)
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.
外部アクセスあり
入力スキーマ
{'type': 'object', 'required': ['input'], 'properties': {'gpu': {'type': 'string', 'description': 'GPU class; call account for the offered classes and how jobs are priced. Default any = cheapest available'}, 'input': {'type': 'string', 'description': 'Relative path of the LAMMPS (or runner) input script inside the deck, e.g. in.lmp'}, 'label': {'type': 'string', 'description': 'Free text <= 120 chars shown in job lists'}, 'launch': {'type': 'string', 'description': 'Launch template; omit for the default KOKKOS/CUDA LAMMPS command line'}, 'runner': {'type': 'string', 'description': 'Runner flavour: lammps (default) or openmm (beta)'}, 'estimate_s': {'type': 'integer', 'description': 'Your runtime guess in seconds; only used for the balance pre-check (min 900 s at the rate)'}, 'wall_limit_s': {'type': 'integer', 'description': 'Hard cap in seconds (default 14400, max 86400); the job fails at the cap and is billed to it'}}}
delete_results
Delete a job's files now
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.
破壊的操作あり
外部アクセスあり
冪等
入力スキーマ
{'type': 'object', 'required': ['id'], 'properties': {'id': {'type': 'string', 'description': 'Job id, e.g. MDJOB-20260907-3F200C'}}}
job_log
Job log tail
The last <= 20 thermo/log lines the running pod reported (30 s heartbeat). Full log.lammps is in the results tarball.
読み取り専用
外部アクセスあり
冪等
入力スキーマ
{'type': 'object', 'required': ['id'], 'properties': {'id': {'type': 'string', 'description': 'Job id, e.g. MDJOB-20260907-3F200C'}}}
job_results
Results download URL
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.
読み取り専用
外部アクセスあり
冪等
入力スキーマ
{'type': 'object', 'required': ['id'], 'properties': {'id': {'type': 'string', 'description': 'Job id, e.g. MDJOB-20260907-3F200C'}}}
job_status
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.
読み取り専用
外部アクセスあり
冪等
入力スキーマ
{'type': 'object', 'required': ['id'], 'properties': {'id': {'type': 'string', 'description': 'Job id, e.g. MDJOB-20260907-3F200C'}}}
list_jobs
List jobs
Jobs of this API key, newest first. Compact rows (id, state, label, created, finished, gpu, cost_usd, error) unless full=true.
読み取り専用
外部アクセスあり
冪等
入力スキーマ
{'type': 'object', 'properties': {'full': {'type': 'boolean', 'description': 'Return the complete status object per job (default false)'}, 'limit': {'type': 'integer', 'description': '1..200, default 20'}}}
preflight_deck
Check a deck before spending
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.
読み取り専用
外部アクセスあり
冪等
入力スキーマ
{'type': 'object', 'required': ['input', 'files'], 'properties': {'files': {'type': 'object', 'description': 'Deck contents {path: text}, must include `input`', 'additionalProperties': {'type': 'string'}}, 'input': {'type': 'string', 'description': 'Relative path of the LAMMPS (or runner) input script inside the deck, e.g. in.lmp'}}}
start_job
Start an uploaded job
Step 2: queue a job whose deck tarball has been uploaded. A GPU pod is launched; billing starts when it reports running.
外部アクセスあり
入力スキーマ
{'type': 'object', 'required': ['id'], 'properties': {'id': {'type': 'string', 'description': 'Job id, e.g. MDJOB-20260907-3F200C'}}}
submit_job
Submit a deck (inline files) and start it
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.
外部アクセスあり
入力スキーマ
{'type': 'object', 'required': ['input', 'files'], 'properties': {'gpu': {'type': 'string', 'description': 'GPU class; call account for the offered classes and how jobs are priced. Default any = cheapest available'}, 'files': {'type': 'object', 'description': 'Deck contents: {"in.lmp": "...", "data.al": "..."}; paths relative, no \'..\'; must include `input`', 'additionalProperties': {'type': 'string'}}, 'input': {'type': 'string', 'description': 'Relative path of the LAMMPS (or runner) input script inside the deck, e.g. in.lmp'}, 'label': {'type': 'string', 'description': 'Free text <= 120 chars shown in job lists'}, 'launch': {'type': 'string', 'description': 'Launch template; omit for the default KOKKOS/CUDA LAMMPS command line'}, 'runner': {'type': 'string', 'description': 'Runner flavour: lammps (default) or openmm (beta)'}, 'estimate_s': {'type': 'integer', 'description': 'Your runtime guess in seconds; only used for the balance pre-check (min 900 s at the rate)'}, 'wall_limit_s': {'type': 'integer', 'description': 'Hard cap in seconds (default 14400, max 86400); the job fails at the cap and is billed to it'}}}
履歴
最近のツール変更
追加
cancel_job
2026年9月17日12:34
追加
preflight_deck
2026年9月17日12:34
追加
capabilities
2026年9月17日12:34
追加
delete_results
2026年9月17日12:34
追加
list_jobs
2026年9月17日12:34
追加
job_results
2026年9月17日12:34
追加
job_log
2026年9月17日12:34
追加
job_status
2026年9月17日12:34
追加
start_job
2026年9月17日12:34
追加
create_job
2026年9月17日12:34
追加
submit_job
2026年9月17日12:34
追加
account
2026年9月17日12:34
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