Hi
Bellow is the MPI QE error we get from different compiler and different MPI
implementation with any data (including test suite for sure). Please let me
know if anybody have any glue 😎. I was trying to trace the issue inside source
code with no result ...
M:\qe_project\QE_7_0\LALA_scf\MPI4>set PMIX_MCA_gds=hash
M:\qe_project\QE_7_0\LALA_scf\MPI4>orterun -np 4 pw.exe 0<pwscf.in 1>pwscf.out
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine good_fft_order (1):
invalid np
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine good_fft_order (1):
invalid np
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine good_fft_order (1):
invalid np
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine good_fft_order (1):
invalid np
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
--------------------------------------------------------------------------
Sorry! You were supposed to get help about:
mpi-abort
But I couldn't open the help file:
/usr/share/openmpi/help-mpi-api.txt: No such file or directory. Sorry!
________________________________
From: Paolo Giannozzi <[email protected]>
Sent: Tuesday, December 19, 2023 12:01 PM
To: Quantum ESPRESSO users Forum
Cc: Husak Michal
Subject: Re: [QE-users] libxc needed for this functional - QE bulid with libxc
On 12/17/23 10:16, Husak Michal via users wrote:
> We had de-facto stopped QE usage, because from the version 7.0 QE support for
> MPI parallelization is non functional
funny: nobody else has reported that QE hasn't been working on parallel
machines since two years
P.
--
Paolo Giannozzi, DMIF, Univ. Udine, Italy
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