example_submission_scripts

Walkthrough

The changes involve three job submission scripts for high-performance computing (HPC) environments, each tailored for different systems and configurations. The scripts specify job parameters such as resource allocations, software versions, and execution commands for the VASP software. They include directives for managing CPU and GPU resources, memory requirements, and output logging, ensuring compatibility with the respective computing environments.

Changes

Files	Change Summary
`example_hpc_submission_scripts/australia_nci_gadi.sh`, `example_hpc_submission_scripts/australia_nci_gadi_gpu.sh`, `example_hpc_submission_scripts/australia_pawsey_setonix.sh`	Each script is a job submission script for HPC environments, detailing resource requirements, software versions, execution commands for VASP, and output logging. The GPU script specifies additional parameters for GPU usage.

Poem

In the land of compute where the rabbits play,
Scripts are crafted for a busy day.
With VASP in tow, they hop and run,
Allocating resources, oh what fun!
Memory and CPUs, all in a line,
Hopping through jobs, making them shine! 🐇✨

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pyiron / pysqa