Resolve "MPI error with k-point parallelization"
Description
Fix the issues regarding blacs cleanup:
- call blacs_exit(1) only when running with MPI
- call blacs_gridinit() at least once, as blacs_exit() raises an MPI error in some versions of OpenMPI
Checklist
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I have checked that my code follows the Octopus coding standards -
I have added tests for all the new features added in this request.
Closes #134 (closed)
Edited by Henning Glawe