- How to Run CASTEP
- How to Run CASTEP in Batch
- How to Run CASTEP Interactively
How to Run CASTEP
You can use any text editor to make the appropriate input files for CASTEP.
How to Run CASTEP from the UCLA Grid Portal
How to Run CASTEP from the Cluster Login Node using the Queue Scripts
The following queue scripts are available for CASTEP:
- Runs multi-threaded.
- Runs in parallel.
- Runs in serial.
How to Run CASTEP from the Cluster Login Node Using UGE Commands
See Running a Batch Job for guidelines to follow to create the required UGE command file. Alternatively, you could create an UGE command file with the queue script listed above. After saving the command file, you can modify it if necessary. See Commonly-Used UGE Commands for a list of the most commonly used UGE commands.
How to Run CASTEP Interactively from the UCLA Grid Portal
How to Run CASTEP Interactively from the Cluster Login Node
To run CASTEP interactively you must use qrsh to obtain an interactive session.
At the compute node shell prompt, enter:
module load castep