--------------------------------------------------------------------------
Open MPI's OFI driver detected multiple equidistant NICs from the current process,
but had insufficient information to ensure MPI processes fairly pick a NIC for use.
This may negatively impact performance. A more modern PMIx server is necessary to
resolve this issue.

Note: This message is displayed only when the OFI component's verbosity level is
864172208 or higher.
--------------------------------------------------------------------------
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WARNING: There was an error initializing an OpenFabrics device.

  Local host:   macloud2
  Local device: mlx4_0
--------------------------------------------------------------------------

     Program PWSCF v.6.7GPU starts on 29Jun2022 at 11:47:57 

     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);
         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
          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 & OpenMP), running on      24 processor cores
     Number of MPI processes:                24
     Threads/MPI process:                     1

     MPI processes distributed on     1 nodes
     K-points division:     npool     =      24
     Reading input from twin.in

     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

     Atomic positions and unit cell read from directory:
     ./pwscf.save/

     Message from routine setup:
     using ibrav=0 with symmetry is DISCOURAGED, use correct ibrav instead

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


     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         559     283     91                 8801     3119     609

     Using Slab Decomposition



     bravais-lattice index     =            0
     lattice parameter (alat)  =       5.3877  a.u.
     unit-cell volume          =     110.5871 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=           10
     kinetic-energy cutoff     =      35.0000  Ry
     charge density cutoff     =     280.0000  Ry
     Exchange-correlation= PBE
                           (   1   4   3   4   0   0   0)

     celldm(1)=   5.387739  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   0.000000   0.707107   0.707107 )  
               a(2) = (   0.707107   0.000000   0.707107 )  
               a(3) = (   0.707107   0.707107   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -0.707107  0.707107  0.707107 )  
               b(2) = (  0.707107 -0.707107  0.707107 )  
               b(3) = (  0.707107  0.707107 -0.707107 )  


     PseudoPot. # 1 for Al read from file:
     ../../../pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98154     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   128

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:     8801 G-vectors     FFT dimensions: (  30,  30,  30)

     Smooth grid:     3119 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       3.85 MB

     Estimated total dynamical RAM >      92.30 MB

     Check: negative core charge=   -0.000003

     The potential is recalculated from file :
     ./pwscf.save/charge-density

     Starting wfcs are    4 randomized atomic wfcs +    6 random wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap
At line 106 of file init_us_2_base.f90
Fortran runtime warning: An array temporary was created
At line 106 of file init_us_2_base.f90
Fortran runtime warning: An array temporary was created
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Fortran runtime warning: An array temporary was created
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Fortran runtime warning: An array temporary was created
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Fortran runtime warning: An array temporary was created
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Fortran runtime warning: An array temporary was created
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Fortran runtime warning: An array temporary was created
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Fortran runtime warning: An array temporary was created
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Fortran runtime warning: An array temporary was created
At line 106 of file init_us_2_base.f90
Fortran runtime warning: An array temporary was created
At line 106 of file init_us_2_base.f90
Fortran runtime warning: An array temporary was created
At line 106 of file init_us_2_base.f90
Fortran runtime warning: An array temporary was created
At line 106 of file init_us_2_base.f90
Fortran runtime warning: An array temporary was created
At line 106 of file init_us_2_base.f90
Fortran runtime warning: An array temporary was created
At line 106 of file init_us_2_base.f90
Fortran runtime warning: An array temporary was created
At line 106 of file init_us_2_base.f90
Fortran runtime warning: An array temporary was created
At line 106 of file init_us_2_base.f90
Fortran runtime warning: An array temporary was created
At line 106 of file init_us_2_base.f90
Fortran runtime warning: An array temporary was created
At line 106 of file init_us_2_base.f90
Fortran runtime warning: An array temporary was created
At line 106 of file init_us_2_base.f90
Fortran runtime warning: An array temporary was created
At line 106 of file init_us_2_base.f90
Fortran runtime warning: An array temporary was created
At line 106 of file init_us_2_base.f90
Fortran runtime warning: An array temporary was created
At line 106 of file init_us_2_base.f90
Fortran runtime warning: An array temporary was created
At line 106 of file init_us_2_base.f90
Fortran runtime warning: An array temporary was created
At line 1740 of file mp.f90
Fortran runtime warning: An array temporary was created
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Fortran runtime warning: An array temporary was created
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Fortran runtime warning: An array temporary was created
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Fortran runtime warning: An array temporary was created
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Fortran runtime warning: An array temporary was created
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Fortran runtime warning: An array temporary was created
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Fortran runtime warning: An array temporary was created
At line 1740 of file mp.f90
Fortran runtime warning: An array temporary was created
At line 1740 of file mp.f90
Fortran runtime warning: An array temporary was created
At line 1740 of file mp.f90
Fortran runtime warning: An array temporary was created
At line 1740 of file mp.f90
Fortran runtime warning: An array temporary was created
At line 1740 of file mp.f90
Fortran runtime warning: An array temporary was created
At line 1740 of file mp.f90
Fortran runtime warning: An array temporary was created
At line 1740 of file mp.f90
Fortran runtime warning: An array temporary was created
At line 1740 of file mp.f90
Fortran runtime warning: An array temporary was created
At line 1740 of file mp.f90
Fortran runtime warning: An array temporary was created
At line 1740 of file mp.f90
Fortran runtime warning: An array temporary was created
At line 1740 of file mp.f90
Fortran runtime warning: An array temporary was created
At line 1740 of file mp.f90
Fortran runtime warning: An array temporary was created
At line 1740 of file mp.f90
Fortran runtime warning: An array temporary was created
At line 1740 of file mp.f90
Fortran runtime warning: An array temporary was created
At line 1740 of file mp.f90
Fortran runtime warning: An array temporary was created
At line 1740 of file mp.f90
Fortran runtime warning: An array temporary was created
At line 1740 of file mp.f90
Fortran runtime warning: An array temporary was created

     ethr =  3.33E-08,  avg # of iterations = 27.9

     total cpu time spent up to now is        2.0 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     Writing output data file ./pwscf.save/

     init_run     :      0.48s CPU      0.49s WALL (       1 calls)
     electrons    :      0.84s CPU      0.85s WALL (       1 calls)

     Called by init_run:
     wfcinit      :      0.00s CPU      0.00s WALL (       1 calls)
     potinit      :      0.02s CPU      0.03s WALL (       1 calls)
     hinit0       :      0.43s CPU      0.43s WALL (       1 calls)

     Called by electrons:
     c_bands      :      0.84s CPU      0.85s WALL (       1 calls)
     v_of_rho     :      0.02s CPU      0.02s WALL (       1 calls)
     newd         :      0.02s CPU      0.02s WALL (       1 calls)

     Called by c_bands:
     init_us_2    :      0.00s CPU      0.00s WALL (       6 calls)
     cegterg      :      0.51s CPU      0.52s WALL (      10 calls)

     Called by *egterg:
     cdiaghg      :      0.02s CPU      0.02s WALL (     147 calls)
     h_psi        :      0.47s CPU      0.47s WALL (     157 calls)
     s_psi        :      0.00s CPU      0.00s WALL (     157 calls)
     g_psi        :      0.01s CPU      0.01s WALL (     141 calls)

     Called by h_psi:
     h_psi:calbec :      0.01s CPU      0.01s WALL (     157 calls)
     vloc_psi     :      0.46s CPU      0.46s WALL (     157 calls)
     add_vuspsi   :      0.00s CPU      0.00s WALL (     157 calls)

     General routines
     calbec       :      0.01s CPU      0.01s WALL (     157 calls)
     fft          :      0.01s CPU      0.01s WALL (      13 calls)
     ffts         :      0.00s CPU      0.00s WALL (       1 calls)
     fftw         :      0.38s CPU      0.38s WALL (    2300 calls)
     interpolate  :      0.00s CPU      0.00s WALL (       1 calls)
     davcio       :      0.00s CPU      0.00s WALL (      12 calls)

     Parallel routines

     PWSCF        :      1.95s CPU      2.74s WALL


   This run was terminated on:  11:48: 0  29Jun2022            

=------------------------------------------------------------------------------=
   JOB DONE.
=------------------------------------------------------------------------------=
[macloud2:998027] 23 more processes have sent help message help-common-ofi.txt / package_rank failed
[macloud2:998027] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
[macloud2:998027] 23 more processes have sent help message help-mpi-btl-openib.txt / error in device init
