Create New Job¶
Here, we explain how to assemble the necessary input files for job submission via the CLI using some pre-defined examples. The reader is referred to the dedicated Tutorial on this topic for a more comprehensive description and examples on how such input files can be customized by the user.
Choose walltime carefully
- Jobs that require long walltime will reserve the corresponding balance, and thus prevent other jobs from starting.
- When not enough walltime is allocated, the job may not finish on time, resulting in an erroneous output.
- The user is advised to submit a support ticket if a walltime adjustment is needed during the course of a long job execution. Our support staff will do their best to accommodate the necessary desired changes, depending on the current computing load and business hours.
Users can find our examples of job batch scripts and input files as explained here.
Below are example commands needed to copy and run one of these template examples with the Quantum ESPRESSO modeling application, contained in the
espresso sub-directory inside
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# make temporary directory cd && mkdir -p job-examples/ # copy example files cd job-examples/ && cp -r ~/job_script_templates/espresso . # submit for execution cd espresso && qsub job.pbs