Quantum ESPRESSO for Windows

Native • High-Performance • Trusted Builds

Precompiled Quantum ESPRESSO binaries for Windows — built natively with Intel oneAPI, Intel MKL, OpenMP, and Microsoft MPI.
Maintained by the QMatSuite project.

Download → unzip → run.
No WSL. No MinGW. No fragile toolchains.

Why this matters

Running Quantum ESPRESSO on Windows has historically been painful:

• Windows is not a first-class platform for QE upstream
• Native builds are hard:
  • complex Fortran/C/C++ stack
  • MPI + OpenMP + math libraries
  • subtle ABI and runtime issues
• Many users gave up or accepted:
  • WSL
  • slow generic binaries
  • fragile MinGW builds
  • “it works on my machine” setups

This project changes that.

We provide a reproducible, native, high-performance Windows build of QE:

• Compiled with Intel oneAPI compilers
• Linked against Intel MKL (BLAS/LAPACK/FFT)
• Parallelized via OpenMP + Microsoft MPI
• Performance comparable to Linux builds
• No emulation, no compatibility layers

QE on Windows is now first-class and fast.

What you get

• Ready-to-use Windows distribution of Quantum ESPRESSO
• All executables and runtime DLLs colocated under bin/
• No environment setup required
• MPI and OpenMP supported out of the box

This repository mirrors the standard, full-featured Windows QE bundle.

Other build variants (different QE versions, libxc-enabled builds, tuning experiments, etc.) are produced and documented in the toolchain repository:

• QMatSuite Toolchain

Download

Latest standard release (recommended):

• Release page: qe-7.5-win-oneapi-msmpi
• Asset: qe-7.5-win-oneapi-msmpi.zip
• SHA256: E50EC7368A5B7A964EB5084E0A13464BA2628D4E147C16227E876002EA34FDF7

This is the default, stable, high-performance Windows build:

• Full QE executable set
• Intel MKL backend
• OpenMP enabled
• Microsoft MPI included
• Signed and verified (see below)

For experimental or alternative builds, see:

• QMatSuite Toolchain

Or open an issue if you need a custom build.

Quick start (Windows)

Download and unzip:

• qe-7.5-win-oneapi-msmpi.zip

Open PowerShell and go to bin\:

cd path\to\qe\bin

Run QE:

.\pw.exe -in input.in > output.out

MPI example:

mpiexec -n 4 .\pw.exe -in input.in

That’s it.

Performance notes

• BLAS / LAPACK / FFT: Intel MKL
• Threading: OpenMP
• MPI: Microsoft MPI (native Windows)

You can control threading via:

• OMP_NUM_THREADS
• MKL_NUM_THREADS

This is a native Windows build, not a compatibility layer.

Trust & verification

These binaries are not just precompiled — they are verifiable:

• All executables are Microsoft Trusted-Signed
  • No SmartScreen warnings
• Built on GitHub official runners
• GitHub Artifact Attestation
  • You can verify the exact commit and workflow that produced the ZIP
• SHA256 checksums provided

This is a reproducible and auditable build, not a random binary drop.

Attestations (mirroring + build provenance)

• Mirror attestation (this repo): proves the ZIP was downloaded + verified and then mirrored with attestation in this repository
  • Attestation: https://github.com/QMatSuite/quantum-espresso-windows-exe/attestations/15620418
• Build attestation (toolchain repo): provenance for the build workflow that produced the ZIP
  • https://github.com/QMatSuite/qmatsuite-toolchain/attestations/15597094

Relation to QMatSuite

This repository is part of the QMatSuite ecosystem.

QMatSuite is a GUI and workflow manager for quantum materials simulations. These QE binaries are used as the default Windows backend for QMatSuite.

If you’re tired of hand-editing inputs and copy-pasting CLI commands, QMatSuite is designed to replace that workflow:

• 🖥 Modern GUI, modern stack: an Electron-based app architecture (in the same class as VS Code), enabling better responsiveness and long-term maintainability
• 🧩 Modular & maintainable by design: clean separation between core logic, workflows/automation, and GUI — scalable and future-proof vs a monolithic app

QMatSuite can automatically:

• download

• verify

• configure

• run QE on Windows

• QMatSuite

If you want a GUI instead of typing inputs by hand, QMatSuite is the natural next step.

License

• Quantum ESPRESSO is licensed under GPL v2 or later
• This repository redistributes unmodified QE binaries
• Third-party runtime licenses are included under licenses/

Bottom line

Quantum ESPRESSO on Windows is no longer a compromise.

This project delivers:

• Native performance
• Reproducible builds
• Trusted binaries
• Zero setup

Download, run, compute.