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cluster_config_test

Validate HPC cluster configurations via SSH before submitting VASP workflows.

181|20|Updated Apr 29, 2026
Search Tags:#workflow#validation#config#ssh#cluster#hpc#vasp
One-click install
npx skills add https://github.com/Hello-QM/catgo-LRG --skill cluster-config-test
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: cluster_config_test
Source: https://github.com/Hello-QM/catgo-LRG/tree/main/server/catgo/workflow/skills/troubleshooting/cluster_config_test
Command: npx skills add https://github.com/Hello-QM/catgo-LRG --skill cluster-config-test

SYSTEM DOCUMENTATION & REQUIREMENTS

What problem does it solve?

Validate an HPC/cluster configuration against the live cluster before submitting a VASP workflow, or diagnose why a remote job produced no output. Reads the user's submit script / run config, then calls the validate_hpc_config tool to probe the real cluster over SSH (POTCAR directories, per-element pseudopotentials, and VASP binary resolution under the real module-load + conda environment). Use whenever the user asks to "test my cluster config", "check if VASP will run", "verify my HPC setup", or after a job silently failed for environment/path reasons.

Core Features & Use Cases

  • Gather the configuration data such as potcar_root, potcar_functional, vasp_command, module_loads, and python_env from the user's inputs.
  • Invoke the validate_hpc_config tool to probe POTCAR directories and VASP binary resolution on the live cluster via SSH.
  • Interpret results to identify misconfigurations and guide fixes, with a re-test loop.
  • Scenario: verifying POTCAR presence, correct functional directory, and environment module/conda resolution on the target cluster.

Quick Start

Provide your run configuration or submit script and connect to the target cluster, then run the cluster_config_test tool to verify your HPC setup.

Frequently Asked Questions about cluster_config_test

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I validate my HPC cluster configuration before submitting a VASP workflow?▼

To verify your HPC setup, provide your run configuration or submit script. The Skill connects to the target cluster over SSH and probes POTCAR directories, per-element pseudopotentials, and VASP binary resolution under the real module-load and conda environment to confirm everything is correctly configured.

Why did my remote VASP job produce no output on the cluster?▼

A remote VASP job may produce no output due to environment or path misconfigurations. This Skill diagnoses the issue by probing the live cluster over SSH to verify VASP binary resolution, module loads, and POTCAR directory paths against your submit script configuration.

Can I check if VASP will run correctly on a cluster with specific module loads and conda environments?▼

Yes, you can check if VASP will run by validating the HPC setup. The Skill tests VASP binary resolution and POTCAR presence under the exact module-load and conda environment specified in your run configuration by probing the real cluster via SSH.

What configuration details do I need to provide to test my HPC setup for VASP?▼

To test your HPC setup, you need to provide configuration data including potcar_root, potcar_functional, vasp_command, module_loads, and python_env from your run config or submit script. The Skill uses these inputs to probe the live cluster and verify the environment.

How does the cluster config test diagnose incorrect POTCAR functional directories?▼

The cluster config test diagnoses incorrect POTCAR functional directories by invoking the validate_hpc_config tool over SSH. It probes the real cluster to verify POTCAR presence and the correct functional directory path, then interprets the results to guide necessary fixes.

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