[QE-users] Phonon calculations stopped unexpectedly

[Jibiao Li]

Dear QE community,
I am performing phonon calculations using the QE 6.4.1(N_ab.ph.disp.inp), but the calculations always stopped unexpectedly with the message below. Please help me check out what's wrong with my calculations.
... ...
     Mode symmetry, C_1 (1)     point group:
     freq (  1 -  1) =         54.6  [cm-1]   --> A                  
     freq (  2 -  2) =        206.7  [cm-1]   --> A                  
     freq (  3 -  3) =        303.1  [cm-1]   --> A                  
     freq (  4 -  4) =        905.0  [cm-1]   --> A                  
     freq (  5 -  5) =        935.7  [cm-1]   --> A                  
     freq (  6 -  6) =       1021.1  [cm-1]   --> A                  
     Calculation of q =   -0.0000002   0.2841911   0.0000000
--------------------------------------------------------------------------

mpirun noticed that process rank 7 with PID 0 on node mu01 exited on signal 6 (Aborted).
--------------------------------------------------------------------------




------------------
Dr. Jibiao Li, Lecturer
Department of Material Science and Engineering
Yangtze Normal University
Juxian Dadao 16#, Fuling, Chongqing, China
Email: jibiaoli at foxmail.com, jibiao.li at hotmail.com
Homepage: https://www.researchgate.net/profile/Jibiao_Li
 

 
N_ab.scf.inp
 &CONTROL
                 calculation = 'scf' ,
                restart_mode = 'from_scratch' ,
                      outdir = './' ,
                  pseudo_dir = '/home/jibiaoli/pseudo/' ,
                      prefix = 'N_ab' ,
                   verbosity = 'high' ,
               etot_conv_thr = 1.0D-5 ,
               forc_conv_thr = 1.0D-5 ,
                     tstress = .true. ,
                     tprnfor = .true. ,
 /
 &SYSTEM
                       ibrav = 0,
                   celldm(1) = 4.3308753444,
                         nat = 2,
                        ntyp = 1,
                     ecutwfc = 41 ,
                     ecutrho = 410 ,
                 occupations = 'smearing' ,
                     degauss = 0.05D0 ,
                    smearing = 'gaussian' ,
             assume_isolated = '2D' ,
                    vdw_corr = 'grimme-d2' ,
 /
 &ELECTRONS
            electron_maxstep = 299,
                    conv_thr = 1.0D-11 ,
                 mixing_beta = 0.3D0 ,
             diagonalization = 'david' ,
 /
CELL_PARAMETERS alat 
   1.015779316   0.000000872   0.000000000
  -0.507888903   0.879689384   0.000000000
   0.000000000   0.000000000   8.000000000
ATOMIC_SPECIES
    N   14.00700  N.pbe-n-kjpaw_psl.1.0.0.UPF 
ATOMIC_POSITIONS angstrom 
    N      1.145901451    0.661593103    0.702137703    
    N      0.000000000    0.000000000    0.000000000    0  0  0 
K_POINTS automatic 
  12 12 1   0 0 0 


N_ab.ph.disp.inp 

Phonon dispersions for N_ab
 &inputph
  tr2_ph=1.0d-14,
  prefix='N_ab',
  outdir='./',
  alpha_mix(1)=0.7,
  fildyn='N_ab.disp.dyn',
  ldisp=.true.,
  nq1=8, nq2=8, nq3=1,
 /
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