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Fix OpenMP

Nicolas Tancogne-Dejean requested to merge fix_openmp_submesh into hotfix-11.4

Description

Fix some OpenMP clauses:

  • For submeshes, the OpenMP calls are deactivated for overlapping sphere, as otherwise we need a reduction.
  • Add missing private and firstprivate clauses in some calls
  • Do not call BLAS within an OpenMP region
  • Fix a wrong critical clause in the LCAO and replace it a proper accumulation

News snippet

Fix some OpenMP clauses.

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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