[QE-users] problem whem more than 1000 k-points

[Fanhao Jia]

Dear developers, 
I am doing a nscf calculation of GaAs with so many k-points. 
I can run  the calculation if the number of k-points is 1000, and it is very fast to finish.
But when I increase to 12*12*12=1728 k-points, the  program does not really run, there is no output or error.
I have increased the nkp in Module/parameter.f90  to 100000,  it doesn't help. Increasing cpus still doesn't help.
I have attached my input. If you have any idea, please let me know.
Best,
Fanhao


&control
   calculation = 'bands'
   pseudo_dir = '../'
/
&system
   ecutwfc = 60.0
   ibrav = 0
   nat = 2
   ntyp = 2
   nbnd=16
/
&electrons
   electron_maxstep = 100
   conv_thr = 1e-10
   diago_full_acc = .true.
   diago_david_ndim = 4
   mixing_ndim = 8
   mixing_mode = 'plain'
   diagonalization = 'david'
   mixing_beta = 0.7
/
CELL_PARAMETERS angstrom
   0.0 2.82675 2.82675
   2.82675 0.0 2.82675
   2.82675 2.82675 0.0
ATOMIC_SPECIES 
   Ga 69.723 'Ga.UPF'
   As 74.9216 'As.UPF'
ATOMIC_POSITIONS crystal
   Ga 0.0 0.0 0.0
   As 0.25 0.25 0.25
K_POINTS crystal
  1728
  0.000000000   0.000000000  0.000000000  1.0
  0.000000000   0.000000000  0.083333333  1.0
  0.000000000   0.000000000  0.166666667  1.0
  0.000000000   0.000000000  0.250000000  1.0
  0.000000000   0.000000000  0.333333333  1.0




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