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Zikkyingcursoragent
Zikkying
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cursoragent
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Update default APEX image to post2
Co-authored-by: Cursor <cursoragent@cursor.com>
1 parent 01db0d6 commit eccaf14

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‎README.md‎

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@@ -455,7 +455,7 @@ When you run `apex submit -c global_bohrium.json`, APEX auto-fills these default
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- `k8s_api_server`: `https://workflows.deepmodeling.com`
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- `batch_type`: `Bohrium`
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- `context_type`: `Bohrium`
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- `apex_image_name`: `registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0`
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- `apex_image_name`: `registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2`
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Priority rule: values in your `-c` json file override account defaults.
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‎apex/account.py‎

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"k8s_api_server": BOHRIUM_WORKFLOWS_HOST,
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"batch_type": "Bohrium",
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"context_type": "Bohrium",
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"apex_image_name": "registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0",
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"apex_image_name": "registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2",
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}
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SENSITIVE_KEYS = {"password"}
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ACCOUNT_FILE_ENV = "APEX_ACCOUNT_FILE"

‎apex/skills/apex-flow/data/default_templates.json‎

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{
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"apex_image": "registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0",
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"apex_image": "registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2",
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"backends": {
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"lammps_gpu": {
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"image": "registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0",
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"image": "registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2",
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"machine": "c8_m31_1 * NVIDIA T4",
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"potentials": ["deepmd", "mace", "nep"]
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},
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"lammps_cpu": {
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"image": "registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0",
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"image": "registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2",
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"machine": "c16_m32_cpu",
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"potentials": ["gap", "snap", "rann", "eam_alloy", "eam_fs", "meam", "meam_spline"]
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},
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"abacus": {
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"image": "registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0",
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"image": "registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2",
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"machine": "c16_m32_cpu",
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"run_command": "mpirun -n 8 abacus"
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},

‎apex/skills/apex-flow/reference/examples.md‎

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### Preferred: APEX workflow submission
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```
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image: registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0
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image: registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2
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machine: c1_m2_cpu
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cmd: apex submit param.json -c global.json -f joint -n "mo-bcc-eos-elastic" > log 2>&1
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```
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### Preferred: APEX workflow submission
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```
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image: registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0
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image: registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2
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machine: c1_m2_cpu
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cmd: apex submit param.json -c global.json -f joint -n "cu-fcc-surface-vacancy" > log 2>&1
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```

‎apex/skills/apex-flow/reference/lammps_potentials.md‎

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| Potential Type | Recommended Image | GPU? |
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|---------------|-------------------|------|
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| deepmd | `registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0` | Yes |
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| mace | `registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0` | Yes |
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| nep | `registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0` | Yes |
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| gap | `registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0` | No (CPU) |
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| snap | `registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0` | No |
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| rann | `registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0` | No |
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| eam_alloy | `registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0` | No |
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| eam_fs | `registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0` | No |
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| meam | `registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0` | No |
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| meam_spline | `registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0` | No |
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| deepmd | `registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2` | Yes |
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| mace | `registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2` | Yes |
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| nep | `registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2` | Yes |
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| gap | `registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2` | No (CPU) |
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| snap | `registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2` | No |
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| rann | `registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2` | No |
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| eam_alloy | `registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2` | No |
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| eam_fs | `registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2` | No |
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| meam | `registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2` | No |
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| meam_spline | `registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2` | No |
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All potential types are supported by the unified APEX image. The APEX 1.3.0 image ships LAMMPS compiled with DeePMD, MACE, NEP, and standard LAMMPS potentials.
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‎apex/skills/apex-flow/reference/submission.md‎

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| Role | Image | Notes |
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|------|-------|-------|
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| **Outer job (submission client)** | `registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0` | Lightweight; just runs `apex submit` |
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| **Outer job (submission client)** | `registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2` | Lightweight; just runs `apex submit` |
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| **LAMMPS calculator** | `registry.dp.tech/dptech/dp/native/prod-397637/deepmd-kit-phonolammps:3.1.3` | Default; includes phonoLAMMPS |
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| **ABACUS calculator** | (same APEX image has ABACUS) | Or user-specified |
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| **VASP calculator** | User must provide | Commercial; confirm with user |
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"ticket": "<UUID from API conversion — auto-filled by generate_config.py>",
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"project_id": "<BOHRIUM_PROJECT_ID>"
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},
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"apex_image_name": "registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0",
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"apex_image_name": "registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2",
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"lammps_image_name": "registry.dp.tech/dptech/dp/native/prod-397637/deepmd-kit-phonolammps:3.1.3",
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"lammps_run_command": "lmp -in in.lammps",
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"scass_type": "c16_m32_cpu",
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```python
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Bohrium(action="submit",
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input_dir="<job_dir>",
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image="registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0",
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image="registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2",
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machine="c1_m2_cpu",
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cmd='apex submit param.json -c global.json -f joint -n "cu-fcc-elastic" > log 2>&1')
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```

‎apex/skills/apex-flow/scripts/generate_config.py‎

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TICKET_API_URL = "https://openapi.dp.tech/openapi/v1/ticket/get"
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DFLOW_HOST = "https://workflows.deepmodeling.com"
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APEX_IMAGE = "registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0"
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APEX_IMAGE = "registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2"
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LAMMPS_IMAGE = (
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"registry.dp.tech/dptech/dp/native/prod-397637/"
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"deepmd-kit-phonolammps:3.1.3"

‎apex/skills/apex-flow/scripts/validate_apex_combo.py‎

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return {
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"backend": backend,
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"prefer": "cpu",
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"image": "registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0",
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"image": "registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2",
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"scass_type": RECOMMENDED_SCASS["abacus"][0],
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"alternatives": {"scass_types": RECOMMENDED_SCASS["abacus"]},
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"outer_machine": RECOMMENDED_SCASS["outer"][0],

‎examples/abacus/global_bohrium.json‎

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"email": "YOUR_EMAIL",
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"password": "YOUR_PASSWD",
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"program_id": 1234,
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"apex_image_name":"registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0",
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"apex_image_name":"registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2",
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"abacus_image_name":"registry.dp.tech/dptech/abacus:3.2.3",
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"abacus_run_command":"mpirun -n 32 abacus",
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"batch_type": "Bohrium",

‎examples/lammps/apex_lammps_tutorial.md‎

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"email": "your_email@example.com",
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"password": "your_password",
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"program_id": 12345,
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"apex_image_name": "registry.dp.tech/dptech/dp/native/prod-397637/apex:1.3.0",
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"apex_image_name": "registry.dp.tech/dptech/dp/native/prod-397637/apex-flow:1.3.0.post2",
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"lammps_image_name": "registry.dp.tech/dptech/dp/native/prod-397637/deepmd-kit-phonolammps:3.1.3",
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"lammps_run_command": "lmp -in in.lammps",
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"scass_type": "c8_m31_1 * NVIDIA T4"

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