[QE-users] EPW (MPI) failure in QE 7.1

[Collins Nganou]

Dear QE community,
I am struggling with the EPW MPI failure.
I have installed QE 7.1  with the following configuration:
./configure CC=pgcc F77=pgf77 FC=nvfortran F90=nvfortran   --with-cuda="/usr/share/nvidia/hpc_sdk/Linux_x86_64/22
.3/cuda/11.6" --with-cuda-runtime=11.6  --enable-openmp --with-scalapack=no --with-cuda-cc=70
The configuration proceeds without error and follows by make all.
I generated all the executables except epw.x. I proceed with make epw to generate epw.x.
However, epw.x gives an error on the mpi failure that does not exist with other executables such as pw.x.
Here is the obtained error:
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)
[c109067:189163] Local abort before MPI_INIT completed completed successfully, but am not able to aggregate error messages, and not able to guara
ntee that all other processes were killed!
[c109067:189160] [[INVALID],INVALID] ORTE_ERROR_LOG: A system-required executable either could not be found or was not executable by this user in
 file ../../../../../orte/mca/ess/singleton/ess_singleton_module.c at line 388
[c109067:189160] [[INVALID],INVALID] ORTE_ERROR_LOG: A system-required executable either could not be found or was not executable by this user in
 file ../../../../../orte/mca/ess/singleton/ess_singleton_module.c at line 166


Regards

Albert
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