[QE-users] Still fighting with OpenMPI issue in QE 7.0 cygwin64 build ...

[Husak Michal]

Hi


After solving the "curl" conflict I can finally run test-suite for QE  7.0 cygwin64 gfotran build ...

I test only the pw

Results:


1) serial
225 out of 226 tests passed (1 skipped). (numeric errors pw_relax - relax-extfor.in )

2) OpenMP
225 out of 226 tests passed (1 skipped). (numeric errors pw_relax - relax-extfor.in )


3) OpenMPI-parallel

All test failed ....


Erros in output:


     Error in routine  fft_type_set (6):
  there are processes with no planes. Use pencil decomposition (-pd .true.)

or

  Error in routine  good_fft_order (1):
  invalid np

I was tracing this to the source code and it look like the FFT setup is doing crazy things ...

I do not believe the environment is wrong - I had compiled CASTEP with same setup and it runs MPI OK

I have no idea what to try more ....

If anybody have some ideas how to debug/trace the issue, advice welcome ...

Michal Husak