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Try to optimize the performance of the copper.py input in one of the clusters. Use the result in task 1 as baseline. You can try different compilers, compiler options, and high performance libraries. You can try also hybrid OpenMP / MPI parallelization with different number of OpenMP threads. You are allowed to modify parallelization options in copper.py (see https://wiki.fysik.dtu.dk/gpaw/documentation/parallel_runs/parallel_runs.html#manual-parallelization-types),
and modify also the source code as long as the correctness check in the input passes. Any modifications to the source code have to be made available e.g. in github. Submit report about the steps you did for performance tuning and about the performance improvements you achieved.
Bonus task: bug fix
The scalapack parallelization in GPAW fails with certain input:
https://gitlab.com/gpaw/gpaw/-/issues/269
Try to fix the bug and if successful make a merge request to GPAW's master branch.
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