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How to Run CPMD

Input

You can use any text editor to create the appropriate input files for CPMD.

How to Run CPMD in Batch

How to Run CPMD from the UCLA Grid Portal

See How to Run an Application from the UCLA Grid Portal

How to Run CPMD from the Cluster Login Node using the Queue Scripts

The easiest way to run CPMD in batch from the login node is to use the queue scripts. See Running a Batch Job for a discussion of the queue scripts and how they are used.

The following queue scripts are available for CPMD:

cpmd.q
Runs in parallel
cpmd.q.parallel
Runs in parallel

To Run CPMD 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 CPMD Interactively

How to Run CPMD Interactively from the UCLA Grid Portal

See How to Run an Application from the UCLA Grid Por$

How to Run CPMD Interactively from the Cluster Login Node

To run CPMD interactively you must first obtain one or more interactive nodes with qrsh. Once you obtain an interactive node, enter:

/u/local/apps/cpmd/current/parallel/cpmd.x

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