SciMate-AIOfficial·10 Agent Skills Included

HPC-Skills

Build, debug, and run HPC simulation workflows on clusters

Generates, reviews, and repairs simulation inputs for OpenFOAM, LAMMPS, VASP, Quantum ESPRESSO, GROMACS, FEniCS, LS-DYNA, and other HPC codes. Eliminates guesswork in MPI launch, GPU mapping, compiler toolchains, Spack stacks, and Slurm job submission. Provides error-pattern dictionaries, starter templates, and cluster playbooks so simulations converge and run correctly the first time.

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npx skills add SciMate-AI/HPC-Skills --all -g -y

Available:

Tells the agent to start from each skill's SKILL.md, load only the matching reference files, and keep skill structure and naming consistent when executing HPC tasks.

All Skills in This Repository (10)

Pure Emerald Level Indicators

📦 In Repo

SciMate-AI

hpc-toolchains

Manage HPC build environments by selecting compilers and configuring CMake.

hpc-mpi

Guide building, debugging, and launching MPI applications in HPC environments.

hpc-gpu-stack

Automate CUDA toolchain setup, GPU-aware MPI, and scheduler integration for HPC workflows.

hpc-foundations

Provide foundational HPC knowledge covering architecture, schedulers, Linux, storage, and cloud.

hpc-spack

Manage and optimize Spack-based HPC software stacks with compiler, MPI, and external package configurations.

hpc-hypre

Optimize and troubleshoot hypre-based sparse solver workflows for HPC applications.

hpc-petsc

Configure and tune PETSc KSP, SNES, and TS solvers for linear, nonlinear, and time-dependent problems.

hpc-trilinos

Diagnose and optimize Trilinos solver workflows with CMake configuration guidance.

hpc-gmsh

Automate 2D and 3D mesh creation with Gmsh algorithms and export formats.

hpc-ls-dyna

Create and review LS-DYNA keyword decks for simulation workflows.

Official

Advanced

Frequently Asked Questions

FAQPage Schema

How to install HPC-Skills?▼

Run `npx skills add SciMate-AI/HPC-Skills --all -g -y` in your terminal to install all HPC skills globally.

Which simulation software does HPC-Skills cover?▼

It covers OpenFOAM, SU2, LS-DYNA, FEniCS, CalculiX, ElmerFEM, PETSc, hypre, Trilinos, LAMMPS, GROMACS, Quantum ESPRESSO, VASP, Gaussian, ParaView, and Gmsh, plus MPI, GPU, Spack, and cluster orchestration.

Can it fix failing Slurm or MPI jobs?▼

Yes. The MPI, GPU, and orchestration skills include error-pattern dictionaries and playbooks for launcher mismatches, rank binding, scheduler integration, and quota or module failures.

Does HPC-Skills work with Claude Code and Codex?▼

Yes. Each skill follows the standard SKILL.md layout and can be loaded by Claude Code, Codex, and other agents that read skill folders.

Do I need HPC experience to use these skills?▼

Basic cluster familiarity helps, but the skills encode expert rules for solver selection, convergence, and job submission so the agent handles the technical details from plain-English requests.