- How to Run CP2K in Batch
- How to Run CP2K Interactively
You can use any text editor to make the appropriate input files for CP2K.
To Run CP2K from the UCLA Grid Portal
To Run CP2K from the Cluster Login Node using the Queue Scripts
The following queue scripts are available for CP2K:
- Asks you whether you want to run in parallel or serial.
- Runs in parallel
- Runs in serial
How to Run CP2K 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 one of the queue scripts 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 CP2K Interactively from the UCLA Grid Portal
How to Run CP2K Interactively from the Cluster Login Node
To run CP2K interactively you must first obtain one or more interactive nodes with qrsh. Once you obtain an interactive node, enter: