For the official website, please visit here.
 
QuantumESPRESSO is installed for GPU and Vector nodes. (The general-purpose CPU nodes are under adjustment.) Also, a part of packages(Vector: PW only. GPU: PW, CP only) is supported, other packages are 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: GPU nodes

The following example is a job script for the 76 MPI processes (1 GPU node group). Although there is no particular specification for the file name, we named job.sh in this section.

For other lines of the job script, see here.  
 

Writing a job script

The following example is a job script for the 80 MPI processes (1 vector node group / 8 SX-Aurora TSUBASA are used). Although there is no particular specification for the file name, we named job.sh in this section.

For other lines of the job script, see here.  
 

Execution method

You can submit your job script with qsub command.

% qsub job.sh

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.