[QE-users] Error while using PWTK

[NAIMI SALMA]

Dear users,

I installed PWTK 3.0 in  my environment of an HPC. I'm trying to run the calculation of eos.pwtk using the command 'mpirun pwtk eos.pwtk' but the estimator files are not generated.
My 'eos.pwtk' file contains:

import NiO.pwtk
eos_run my_input

The 'NiO.scf.out' file is generated but I also get an 'NiO.scf.out.error' file . When I open 'my_input.d' directory, I find that it only contains the following files:'my_input.estimator-1.in', 'my_input.estimator-1.out', 'my_input.estimator-1.out.error'.

'my_input.estimator-1.out' file contains only this line:
  ### Running on host: slurm-compute-h24d8-u13-svn2
and  'my_input.estimator-1.out.error' file contains:
*** An error occurred in MPI_Init_thread
*** on a NULL communicator
*** MPI_ERRORS_ARE_FATAL (processes in this communicator will now abort,
***    and potentially your MPI job)
[slurm-compute-h24d8-u13-svn2:1009590] Local abort before MPI_INIT completed completed successfully, but am not able to aggregate error messages, and not able to guarantee that all other processes were killed!

Could you guide me on how to solve this problem please?

You'll find bellow a screenshot of the files used and generated.

Kind  regards,
[cid:ff727e61-cb1c-473f-98d7-468b1b75e222]
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