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

[Hari Paudyal]

Hi Albert,

Could you please post EPW-related issues in the EPW forum (
https://forum.epw-code.org/) so that the EPW experts can answer your issue?

Best,
Hari Paudyal
Binghamton University-SUNY

On Wed, Aug 3, 2022 at 9:25 AM Collins Nganou <Collins_Nganou at cbu.ca> wrote:

> 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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