SKILL: Bohrium Job Management

Overview

Manage compute jobs on the Bohrium platform. Prefer bohr CLI; fall back to the API only for advanced operations not supported by the CLI.

Authentication

ACCESS_KEY and PROJECT_ID are read from the OpenClaw config ~/.openclaw/openclaw.json:

"bohrium-job": {
  "enabled": true,
  "apiKey": "YOUR_ACCESS_KEY",
  "env": {
    "ACCESS_KEY": "YOUR_ACCESS_KEY",
    "PROJECT_ID": "YOUR_PROJECT_ID"
  }
}

OpenClaw automatically injects env variables into the runtime. The bohr CLI authenticates via the ACCESS_KEY environment variable.

Prerequisites: Install bohr CLI

# macOS
/bin/bash -c "$(curl -fsSL https://dp-public.oss-cn-beijing.aliyuncs.com/bohrctl/1.0.0/install_bohr_mac_curl.sh)"

# Linux
/bin/bash -c "$(curl -fsSL https://dp-public.oss-cn-beijing.aliyuncs.com/bohrctl/1.0.0/install_bohr_linux_curl.sh)"

# Verify
source ~/.bashrc  # or source ~/.zshrc
export PATH="$HOME/.bohrium:$PATH"
bohr version

The installer auto-configures OPENAPI_HOST and TIEFBLUE_HOST. If they don't take effect, set manually:

export OPENAPI_HOST=https://open.bohrium.com
export TIEFBLUE_HOST=https://tiefblue.dp.tech

Submit Jobs

Method 1: CLI Arguments (Recommended)

bohr job submit \
  -m "registry.dp.tech/dptech/deepmd-kit:3.1.1" \
  -t "c4_m15_1 * NVIDIA T4" \
  -c "python train.py" \
  -p ./input_dir/ \
  --project_id 154 \
  -n "my-job-name"

Parameters:

Method 2: Config File (For Complex Scenarios)

bohr job submit -i job.json -p ./input_dir/

Full job.json example:

{
  "job_name": "my-training-job",
  "command": "python train.py --epochs 10",
  "log_file": "train.log",
  "backward_files": ["model.pt", "results/"],
  "project_id": 154,
  "machine_type": "c4_m15_1 * NVIDIA T4",
  "image_address": "registry.dp.tech/dptech/deepmd-kit:3.1.1",
  "job_type": "container",
  "disk_size": 50,
  "dataset_path": ["/bohr/my-dataset/v1"],
  "result_path": "/personal",
  "max_reschedule_times": 2,
  "max_run_time": 120,
  "nnode": 1
}

job.json field reference:

Important Notes

View Jobs

bohr job list -n 10              # Recent 10
bohr job list -n 5 --json        # JSON output
bohr job list -r                 # Running only
bohr job list -f                 # Failed only
bohr job list -i                 # Finished only
bohr job list -p                 # Pending only
bohr job list -j 15954383        # Jobs in a specific group

Job Details

bohr job describe -j 22153612 --json
bohr job describe -j 22153612 -l        # Full details

View/Download Logs

bohr job log -j 22153612                # View
bohr job log -j 22153612 -o ./logs/     # Download

Download Results

bohr job download -j 22153612 -o ./results/
bohr job_group download -j 15954383 -o ./results/

Manage Jobs

bohr job terminate 22153612             # Terminate (keep results -> completed)
bohr job kill 22153612                  # Force stop (discard results, keep record)
bohr job delete 22153612                # Delete (remove everything)
bohr job terminate 22153612 22153613    # Batch terminate
bohr job delete 22153612 22153613       # Batch delete

terminate vs kill vs delete:

Job Group Management

bohr job_group list -n 10 --json
bohr job_group list -s 2026-01-01 -e 2026-03-14     # Date range
bohr job_group create -n "experiment-v1" -p 154
bohr job_group terminate 15954383
bohr job_group delete 15954383
bohr job_group download -j 15954383 -o ./results/

Note: job_group_id from bohr job_group create is for CLI only (bohr job submit -g \x3Cid>). It differs from the web UI job group ID.

Scientific Software Examples

DeePMD-kit Training

{
  "job_name": "DeePMD-kit test",
  "command": "cd se_e2_a && dp train input.json > tmp_log 2>&1 && dp freeze -o graph.pb",
  "log_file": "se_e2_a/tmp_log",
  "backward_files": ["se_e2_a/lcurve.out", "se_e2_a/graph.pb"],
  "project_id": 154,
  "machine_type": "c4_m15_1 * NVIDIA T4",
  "job_type": "container",
  "image_address": "registry.dp.tech/dptech/deepmd-kit:2.1.5-cuda11.6"
}

LAMMPS Molecular Dynamics

{
  "job_name": "lammps_tutorial",
  "command": "mpirun -n 32 lmp_mpi -i in.shear > log",
  "log_file": "log",
  "backward_files": [],
  "project_id": 154,
  "machine_type": "c32_m64_cpu",
  "job_type": "container",
  "image_address": "registry.dp.tech/dptech/lammps:29Sep2021"
}

ABACUS First-Principles

{
  "job_name": "ABACUS test",
  "command": "OMP_NUM_THREADS=1 mpirun -np 8 abacus > log",
  "log_file": "log",
  "backward_files": [],
  "project_id": 154,
  "machine_type": "c16_m32_cpu",
  "job_type": "container",
  "image_address": "registry.dp.tech/dptech/abacus:3.0.0"
}

GROMACS Molecular Simulation

{
  "job_name": "bohrium-gmx-example",
  "command": "bash rungmx.sh > log",
  "log_file": "log",
  "backward_files": [],
  "project_id": 154,
  "machine_type": "c16_m62_1 * NVIDIA T4",
  "job_type": "container",
  "image_address": "registry.dp.tech/dptech/gromacs:2022.2"
}

CP2K Quantum Chemistry

{
  "job_name": "CP2K_Si_opt",
  "command": "source /cp2k-7.1/tools/toolchain/install/setup && mpirun -n 16 --allow-run-as-root --oversubscribe cp2k.popt -i input.inp -o output.log",
  "log_file": "output.log",
  "backward_files": ["output.log"],
  "project_id": 154,
  "machine_type": "c16_m32_cpu",
  "job_type": "container",
  "image_address": "registry.dp.tech/dptech/cp2k:7.1"
}

Container / VM Image Mapping

API Supplement (CLI Unsupported Operations)

import os, requests

AK = os.environ.get("ACCESS_KEY", "")
BASE = "https://open.bohrium.com/openapi/v1"
HEADERS = {"accessKey": AK}

# Filter by status (0=pending, 1=running, 2=finished, 3=scheduling, -1=failed)
r = requests.get(f"{BASE}/job/list", headers=HEADERS,
    params={"page": 1, "pageSize": 10, "status": 1})

# Job config (includes file access token)
r = requests.get(f"{BASE}/job/view/conf/{job_id}", headers=HEADERS)
# Returns: {state, baseDir, tempDir, token, host, expires}

# View snapshot
r = requests.get(f"{BASE}/job/{job_id}/snapshot", headers=HEADERS)

# Rename job
requests.post(f"{BASE}/job/{job_id}/modify",
    headers={**HEADERS, "Content-Type": "application/json"},
    json={"name": "new-name"})

# Rename job group
requests.post(f"{BASE}/job_group/{job_group_id}/modify",
    headers={**HEADERS, "Content-Type": "application/json"},
    json={"name": "new-group-name"})

Job Status Codes

Common Machine Types

Troubleshooting