[MacPorts] #64831: quantum espresso doesn't work with either OpenMPI or mpich (MacOS)

[MacPorts]

#64831: quantum espresso doesn't work with either OpenMPI or mpich (MacOS)
----------------------+------------------------------
 Reporter:  Nevensky  |      Owner:  (none)
     Type:  defect    |     Status:  new
 Priority:  Normal    |  Milestone:
Component:  ports     |    Version:  2.7.2
 Keywords:            |       Port:  quantum-espresso
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 Even though both openmpi and mpich variants of the quantum-espresso ports
 build successfuly and the port works in single threaded mode (when not run
 with pw.x dirrectly instead of using mpirun or mpixecec) however the
 parallelization doesn't work.

 For the OpenMPI case it duplicates the single threaded version by the
 number of cores passed to mpirun (the output files contains repeated
 outputs for each thread), thus the intrinsic parallelization doesn't work.

 For the mpich case pw.x correctly detectes the number of cores passed to
 mpiexec, but the diagionalization (cholesky) fails with no explanation.
 .

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Ticket URL: <https://trac.macports.org/ticket/64831>
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