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How to Run Q-Chem

Input

You can use any text editor to make the appropriate input files for Q-Chem.

How to Run Q-Chem in Batch

How to Run Q-Chem from the UCLA Grid Portal

See How to Run an Application from the UCLA Grid Portal

You can either provide an input file or interactively fill out a form and have the Grid Portal create the input file for you.

How to Run Q-Chem from the Cluster Login Node using the Queue Scripts

The easiest way to run Q-Chem 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 Q-Chem:

qchem.q
Runs in parallel.
qchem.q.parallel
Runs in parallel.

How to Run Q-Chem 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 Q-Chem Interactively

Q-Chem is not available interactively.

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