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Fixes a warning and activate more tests on GPUs.

Nicolas Tancogne-Dejeanrequested to merge
more_tests_on_gpus into main

Description

  • Fixes a warning and activate more tests on GPUs.

  • Allow to compute the number of excited electrons on GPUs:

    • This required to allocate the GS states on the GPU and to have the correct cublas call implemented.
    • In the process, I realized that several allocations were not done on the GPUs, which could affect the performances on the code.

  • A wrong PUSH/POP_SUB is also fixed.

Checklist

  • I have checked that my code follows the Octopus coding standards
  • I have added tests for all the new features added in this request.
Edited by Nicolas Tancogne-Dejean

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