QCFractal Server User Guide

Contents:

• QCFractal Installation and Setup
  • Installation through conda
  • Setting up the server
  • Next steps
• Server Configuration
  • Quick start
  • How configuration is loaded
  • Environment variables
  • Top-level settings (FractalConfig)
  • Database (database)
  • Web API (api)
  • API limits (api_limits)
  • Automatic resets (auto_reset)
  • CORS (cors)
  • S3 external files (s3)
  • Minimal and full configuration examples
  • Environment variable examples
  • Notes on path handling
  • Generated reference
• Server administration via the CLI
  • Quick start
  • Getting help
  • Global options
  • Subcommands
  • Common tasks and examples
  • Troubleshooting
  • See also
• Administering a QCFractal server with PortalClient
  • Getting started: connecting and authentication
  • Users: add, list, enable/disable, change passwords, delete
  • Groups: create, list, get, delete
  • Compute managers: viewing manager information
  • Access log: view and clear
  • Internal jobs: view, cancel, delete
  • Tips and notes
• Server administration via client and API
• QCFractalCompute - Compute Managers and Workers
  • Compute manager setup for an HPC cluster
  • Configuration for different HPC schedulers
  • Execution without interfacing with an HPC scheduler