Welcome to MX-PReSTO

This pages can hopefully get the reader started on how to run MX software in a HPC environment. PReSTO users can request 2-hour training sessions from PReSTO enablers. We aim to have get started instructions for how to run MX software in a high performance compute environment examples listed below:

• use of login vs compute node
  • Run parallel MX software by sbatch script or by an interactive compute node terminal
  • Running parallel MX software at an interactive compute node
  • Login node for graphics, non-parallel software, and GUIs configured for SLURM
  • sbatch and checking the queue
  • Useful HPC commands and some terminology
• The PReSTO menu
  • The PReSTO menu launch graphics software at login node, and parallel software at compute nodes
• configure Phenix GUI to use slurm
  • We run Phenix GUI at login node, and configure slurm to run phenix.refine i.e. compute jobs at compute nodes.
• run many X-ray data processing softwares by a single sbatch script
• share limitations
• share example sbatch scripts
• MX training opportunities
• etc.