Quantum Espresso
2 articles on Quantum Espresso, drawn from 85 integrated source databases.
4 Strategies to Run Quantum ESPRESSO on Modal, All Failed
We tried four image-registry strategies to run Quantum ESPRESSO on Modal's serverless GPU infrastructure. apt_install hangs at tasks=0, ephemeral detach produces the same symptom, GHCR returns 403 Forbidden, and Docker Hub returns 'manifest not found.' The only viable path is a custom Dockerfile with QE compiled from source.
When All 13 Compute Results Were Error Payloads
Every single Modal QE DFPT and HSE06 result from our April 2026 GPU compute campaign was an error payload, not usable data. 13 files landed on the volume with status ERROR, PSEUDO_ERROR, SCF_FAILED, DFPT_FAILED, PARSE_ERROR, or NOT_CONVERGED. The honest-null pattern kept failed values out of our ledger; downstream screens still had to handle nulls.