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QuantumESPRESSO 6.3 is installed for General-purpose CPU nodes on OCTOPUS. Also, a part of packages is not available. Only processing by batch request is allowed. The example of the job script and the job execution method is explained below.

Writing a job script

The following example is a job script for the 96 MPI processes (4 general-purpose CPU nodes are used). Although there is no particular specification for the file name, we named in this section.

For other lines of the job script, see here.  

execution method

You can submit your job script with qsub command.

% qsub

How to check the status of the submitted job is here. When the execution is finished, the calculation result is output to the result file.