[QE-users] Rcompilation of QE 6.7 by Cygwin 64 - result does not work ...

[Michal Husak]

Hi

I had recompiled QE 6.7 under Cygwin 64 with gl fortran ... (Windows 7 ) ...
Compilation and installation worked without any error ...

Than I had tried to process a simple l-alanin test input witch works 
OK with Windows 7 6.4 QE binaries.

Otutup with error message follow bellow

      Error in routine  good_fft_order (1):
       invalid np

Any idea what is wrong ?

Can enybody eventualy offer 6.7 QE binary compiled for Microsoft MPI 
with added link to the XC library
(I nedd SCAN fucntional working) ...

Michal

Michal at Krtek /cygdrive/f/qe_projects/test_cygwin64/LALA_space_group
$ pw.x < LALA_scf.in

      Program PWSCF v.6.7MaX starts on 16Apr2021 at 15:19:45

      This program is part of the open-source Quantum ESPRESSO suite
      for quantum simulation of materials; please cite
          "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
           URL http://www.quantum-espresso.org",
      in publications or presentations arising from this work. More details at
      http://www.quantum-espresso.org/quote

      Parallel version (MPI), running on     1 processors

      MPI processes distributed on     1 nodes
      Waiting for input...
      Reading input from standard input

      Current dimensions of program PWSCF are:
      Max number of different atomic species (ntypx) = 10
      Max number of k-points (npk) =  40000
      Max angular momentum in pseudopotentials (lmaxx) =  3
      file C.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s)  2S 2P renormalized
      file O.pbe-n-kjpaw_psl.0.1.UPF: wavefunction(s)  2P renormalized

      Subspace diagonalization in iterative solution of the eigenvalue problem:
      a serial algorithm will be used


  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      Error in routine  good_fft_order (1):
       invalid np
  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

      stopping ...
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------

Michal at Krtek /cygdrive/f/qe_projects/test_cygwin64/LALA_space_group
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