Solve anisotropic Eliashberg equations

[dhw]

Hello :
I had a problem with Solve Anisotropic Eliashberg Equations, where no error file was reported after an interrupt to the calculation process and got stuck in the output line below. What could be the problem?

The last lines of the output file:

Code: Select all

  
Read from file delta and znorm on imaginary-axis 
    
     Total number of frequency points nsiw(     1) =    296
     Cutoff frequency wscut =     0.8027
    
    
     Pade approximant of anisotropic Eliashberg equations from imaginary-axis to real-axis
     Cutoff frequency wscut =     0.8000

The input files :

Code: Select all

--
&inputepw
  prefix      = ' ',
  amass(1) = ,
  amass(2) =  ,
  amass(3) =  ,
  outdir      = './'
  
!  wannierize  = .true.  
!  num_iter    = 0
  dis_froz_min= 3.8
  dis_froz_max= 4.8
  proj(1) = 'Se:l=1'
  wdata(1) = 'Begin Kpoint_Path'
  wdata(2) = 'G 0.00 0.00 0.00   M 0.00 0.50 0.00'
  wdata(3) = 'M 0.00 0.50 0.00   K 0.333 0.333 0.00'
  wdata(4) = 'K 0.333 0.333 0.0  G 0.00 0.00 0.00'
  wdata(5) = 'End Kpoint_Path'
  wdata(6) = 'bands_plot = .true.'
  wdata(7) = 'bands_num_points = 55'
  wdata(8) = 'guiding_centres = .true.'
  wdata(9) = 'dis_num_iter = 5000'
  nbndsub     =  12,
 bands_skipped = 'exclude_bands = 1:54'
  system_2d=.true.
  ep_coupling = .true.
  elph        = .true.
  kmaps       = .true.   
 ! epwwrite = .true.
  epwread  = .true. 
  ephwrite    = .true.        !change
  etf_mem     =  1
  iverbosity  = 2  
  eps_acustic = 2.0,              !change
  fsthick     = 0.1  ! eV
!  eptemp      = 5  ! K
  degaussw    = 0.01 ! eV
  nqsmear     = 1      !Number of different smearings used to calculate the a2f.
  nsmear      = 1      !Number of different smearings used to calculate the phonon self-energy.
  delta_smear = 0.01 ! eV
  degaussq     = 0.5 ! meV
  nqstep       = 500


  eliashberg  = .true.
  laniso = .true.
  limag = .true.
  lpade = .true.

  max_memlt = 3.50d0
  asr_typ = 'crystal'
  conv_thr_iaxis = 1.0d-4
  wscut =0.25    ! eV   
  nstemp   = 12
  temps = 2.00 13.00
  nsiter   = 500
  muc     = 0.20876
  dvscf_dir   = '../../phonon/save/'
  delta_approx = .true.,
!  elecselfen = .true.,
!  phonselfen = .true.,
!  a2f = .true. ,
  nk1         = 18
  nk2         = 18
  nk3         = 1
  nq1         = 6
  nq2         = 6
  nq3         = 1
! mp_mesh_k = .true.
  nkf1 = 120
  nkf2 = 120
  nkf3 = 1
  nqf1 = 60
  nqf2 = 60
  nqf3 = 1
/

Thanks you ! Best wish!

[hpaudya1]

Hi dhw,

Could you please check your available memory? I guess, the memory 2.9168 Gb is not available. I recommend using more number of processors and give a try.

Best,
Hari Paudyal

[dhw]

Hello , Hari Paudyal,
First of all, thanks for your help! I'd like to ask you one more question.
The question is : Does the machine memory you indicate here calculate the machine's stored memory ? Or can I understand that this memory can be resolved by setting the parameter 'max_memlt'?
Best wish,
dhw,

[hpaudya1]

Hi dhw,

The memory is the RAM memory. The default value of "max_memlt" is 2.85 Gb per pool (note: nr. of pools = nr. of cores in the epw calculation). If your machine has more memory per pool than the default, you can increase it to that value (or a little more than that).

Best,
Hari Paudyal