Memory error, how to continue?

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ray
Posts: 8
Joined: Mon Mar 14, 2022 1:19 am
Affiliation: physics

Memory error, how to continue?

Post by ray »

Dear EPW developers,

A memory error occurred when I calculated the superconducting energy gap with epw. Since the superconducting energy gap calculation is time-consuming, how do I continue the calculation from where the program left off?

Code: Select all

    
     ===================================================================
     Solve anisotropic Eliashberg equations
     ===================================================================


     Finish reading freq file

                  Fermi level (eV) =    -2.7529702474E+00
     DOS(states/spin/eV/Unit Cell) =     6.6476542251E-01
            Electron smearing (eV) =     1.0000000000E-01
                 Fermi window (eV) =     8.0000000000E-01
     Nr irreducible k-points within the Fermi shell =     18743 out of     24480

           2 bands within the Fermi window


     Finish reading egnv file 


     Max nr of q-points =      3080


     Finish reading ikmap files


     Size of allocated memory per pool: ~=    1.6875 Gb

     Start reading .ephmat files


     Finish reading .ephmat files

     a2f file is found and will be used to estimate initial gap
 

     Finish reading a2f file

     Electron-phonon coupling strength =    1.2470850
 
     Estimated Allen-Dynes Tc =    13.035261 K for muc =    0.10000
  
     Estimated w_log in Allen-Dynes Tc =    11.978892 meV
  
     Estimated BCS superconducting gap =     1.976994 meV
  
     Estimated Tc from machine learning model =    16.974219 K
  
    
     temp(  1) =      5.00000 K
    
     Solve anisotropic Eliashberg equations on imaginary-axis
    
     Total number of frequency points nsiw(     1) =    185
     Cutoff frequency wscut =     0.5022
     broyden mixing factor =      0.50000
     mixing factor = 0.2 is used for the first three iterations.
    

     Size of allocated memory per pool: ~=    1.6875 Gb
     Actual number of frequency points (     1) =    185 for uniform sampling

     Size of allocated memory per pool: ~=    1.7193 Gb

     Size of allocated memory per pool: ~=    1.7769 Gb

     Size of required memory per pool: ~=   26.2640 Gb

     Size of allocated memory per pool: ~=    1.7769 Gb

     akeri is calculated on the fly since its size exceedes max_memlt

        iter      ethr          znormi      deltai [meV]
          1   3.049163E+00   2.115199E+00   2.348743E+00
          2   5.196553E-02   2.106430E+00   2.428017E+00
          3   2.178349E-01   2.073510E+00   2.705646E+00
          4   5.162276E-02   2.060026E+00   2.840394E+00
          5   2.050320E-03   2.061027E+00   2.833756E+00
          6   1.694425E-02   2.053135E+00   2.907779E+00
          7   1.321906E-02   2.048952E+00   2.953834E+00
          8   7.863446E-03   2.050220E+00   2.938455E+00
          9   1.113514E-03   2.050932E+00   2.932266E+00
         10   1.908936E-02   2.052757E+00   2.902577E+00
         11   2.603098E-02   2.050722E+00   2.933163E+00
         12   6.190162E-03   2.050676E+00   2.941331E+00
         13   6.819185E-03   2.049635E+00   2.943783E+00
         14   3.939796E-03   2.049662E+00   2.947745E+00
         15   8.404010E-04   2.049740E+00   2.946633E+00
         16   3.512550E-03   2.048904E+00   2.956295E+00
         17   1.286275E-03   2.048435E+00   2.960522E+00
         18   3.285038E-03   2.047624E+00   2.969787E+00
         19   1.439022E-03   2.047336E+00   2.973274E+00
         20   1.234373E-03   2.047166E+00   2.975638E+00
         21   1.239316E-03   2.047004E+00   2.978034E+00
         22   3.052444E-03   2.046428E+00   2.984683E+00
         23   1.794484E-03   2.046108E+00   2.988607E+00
         24   1.770506E-03   2.045709E+00   2.993270E+00
         25   8.517976E-04   2.045541E+00   2.995292E+00
         26   1.211145E-03   2.045239E+00   2.998614E+00
         27   1.471669E-03   2.044802E+00   3.003285E+00
         28   1.607526E-03   2.044337E+00   3.008363E+00
         29   1.375573E-03   2.043907E+00   3.012992E+00
         30   7.374336E-04   2.043659E+00   3.015605E+00
         31   1.168097E-03   2.043305E+00   3.019421E+00
         32   4.656144E-04   2.043171E+00   3.020855E+00
         33   9.970491E-04   2.042893E+00   3.024025E+00
         34   8.028202E-04   2.042563E+00   3.027455E+00
         35   8.663007E-04   2.042294E+00   3.030367E+00
         36   1.399043E-03   2.042020E+00   3.033725E+00
         37   1.704668E-03   2.041716E+00   3.037610E+00
         38   1.718909E-03   2.041466E+00   3.040925E+00
         39   1.287999E-03   2.041269E+00   3.043607E+00
         40   1.628770E-03   2.041031E+00   3.046866E+00
         41   1.131711E-03   2.040855E+00   3.049190E+00
         42   9.963133E-04   2.040688E+00   3.051291E+00
         43   1.128568E-03   2.040477E+00   3.053869E+00
         44   8.487774E-04   2.040300E+00   3.055931E+00
         45   1.135174E-03   2.040075E+00   3.058663E+00
         46   6.077649E-04   2.039945E+00   3.060184E+00
         47   5.498781E-04   2.039827E+00   3.061555E+00
         48   8.272192E-04   2.039659E+00   3.063574E+00
         49   5.612369E-04   2.039539E+00   3.064971E+00
         50   9.499484E-04   2.039313E+00   3.067582E+00
         51   7.416066E-04   2.039150E+00   3.069481E+00
         52   6.555406E-04   2.039016E+00   3.071120E+00
         53   6.373960E-04   2.038876E+00   3.072779E+00
         54   6.733292E-04   2.038706E+00   3.074710E+00
         55   5.535176E-04   2.038576E+00   3.076195E+00
         56   5.066397E-04   2.038464E+00   3.077532E+00
         57   5.341756E-04   2.038333E+00   3.078999E+00
         58   5.044890E-04   2.038220E+00   3.080348E+00
         59   5.222858E-04   2.038101E+00   3.081739E+00
         60   3.600149E-04   2.038026E+00   3.082652E+00
         61   4.288379E-04   2.037929E+00   3.083798E+00
         62   5.507407E-04   2.037807E+00   3.085254E+00
         63   3.745333E-04   2.037733E+00   3.086141E+00
         64   5.503173E-04   2.037610E+00   3.087637E+00
         65   4.180453E-04   2.037521E+00   3.088741E+00
         66   3.519932E-04   2.037450E+00   3.089619E+00
         67   2.659239E-04   2.037399E+00   3.090248E+00
         68   3.992234E-04   2.037316E+00   3.091255E+00
         69   2.525707E-04   2.037264E+00   3.091892E+00
         70   2.482584E-04   2.037214E+00   3.092478E+00
         71   2.858103E-04   2.037155E+00   3.093190E+00
         72   2.296720E-04   2.037112E+00   3.093722E+00
         73   3.747820E-04   2.037034E+00   3.094652E+00
         74   2.867631E-04   2.036978E+00   3.095332E+00
         75   2.578259E-04   2.036926E+00   3.095966E+00
         76   1.804238E-04   2.036886E+00   3.096435E+00
         77   2.470763E-04   2.036836E+00   3.097041E+00
         78   2.264984E-04   2.036791E+00   3.097587E+00
         79   1.856519E-04   2.036750E+00   3.098078E+00
         80   1.749894E-04   2.036715E+00   3.098496E+00
         81   1.367934E-04   2.036684E+00   3.098856E+00
         82   1.615046E-04   2.036649E+00   3.099280E+00
         83   1.655540E-04   2.036612E+00   3.099730E+00
         84   1.454466E-04   2.036582E+00   3.100090E+00
         85   8.680473E-05   2.036561E+00   3.100329E+00
         86   1.303851E-04   2.036529E+00   3.100696E+00
         87   1.733696E-04   2.036489E+00   3.101177E+00
         88   1.245551E-04   2.036460E+00   3.101516E+00
         89   1.169788E-04   2.036433E+00   3.101837E+00
         90   1.290695E-04   2.036404E+00   3.102183E+00
         91   1.108504E-04   2.036379E+00   3.102473E+00
         92   9.675548E-05   2.036357E+00   3.102728E+00
         93   6.868707E-05   2.036345E+00   3.102886E+00
         94   6.286746E-05   2.036331E+00   3.103047E+00
         95   7.897217E-05   2.036314E+00   3.103256E+00
         96   8.521351E-05   2.036295E+00   3.103472E+00
         97   7.033140E-05   2.036281E+00   3.103642E+00
         98   8.025177E-05   2.036265E+00   3.103841E+00
         99   8.888858E-05   2.036248E+00   3.104051E+00
        100   7.673263E-05   2.036233E+00   3.104237E+00
        101   6.128001E-05   2.036221E+00   3.104383E+00
        102   3.470836E-05   2.036214E+00   3.104465E+00
        103   3.486583E-05   2.036206E+00   3.104558E+00
        104   5.778377E-05   2.036194E+00   3.104705E+00
        105   5.593900E-05   2.036182E+00   3.104843E+00
        106   4.294269E-05   2.036173E+00   3.104957E+00
        107   4.392563E-05   2.036163E+00   3.105071E+00
        108   4.344073E-05   2.036153E+00   3.105189E+00
        109   3.511892E-05   2.036145E+00   3.105281E+00
        110   3.534021E-05   2.036137E+00   3.105379E+00
        111   2.694214E-05   2.036131E+00   3.105452E+00
        112   2.447394E-05   2.036125E+00   3.105516E+00
        113   3.431860E-05   2.036118E+00   3.105609E+00
        114   2.977732E-05   2.036111E+00   3.105690E+00
        115   2.386325E-05   2.036106E+00   3.105748E+00
        116   2.755608E-05   2.036100E+00   3.105822E+00
        117   2.719908E-05   2.036094E+00   3.105889E+00
        118   2.038459E-05   2.036090E+00   3.105941E+00
        119   2.409802E-05   2.036085E+00   3.106003E+00
        120   1.932555E-05   2.036080E+00   3.106052E+00
        121   1.454786E-05   2.036077E+00   3.106089E+00
        122   2.101825E-05   2.036073E+00   3.106141E+00
        123   1.545514E-05   2.036070E+00   3.106180E+00
        124   1.319708E-05   2.036067E+00   3.106214E+00
        125   1.504996E-05   2.036064E+00   3.106253E+00
        126   1.506775E-05   2.036060E+00   3.106292E+00
        127   1.209050E-05   2.036058E+00   3.106322E+00
        128   1.121628E-05   2.036056E+00   3.106349E+00
        129   1.287840E-05   2.036053E+00   3.106382E+00
        130   8.514180E-06   2.036051E+00   3.106404E+00
     Convergence was reached in nsiter =    130
 
     Chemical potential (itemp =   1) =    -2.7529702474E+00 eV
 
     Temp (itemp =   1) =    5.000 K  Free energy =    -0.002671 meV
 

     Size of allocated memory per pool: ~=    1.7749 Gb

     Size of allocated memory per pool: ~=    1.7431 Gb

     Size of allocated memory per pool: ~=    1.6914 Gb
     Min. / Max. values of superconducting gap =     0.000000    4.672729 meV
     iaxis_imag   : *********s CPU *********s WALL (       1 calls)
 
    
     Pade approximant of anisotropic Eliashberg equations from imaginary-axis to real-axis
     Cutoff frequency wscut =     0.5000
    

     Size of allocated memory per pool: ~=    1.7560 Gb
        pade    Re[znorm]   Re[delta] [meV]
        166   2.108907E+00   2.819379E+00
 
     Convergence was reached for N =    166 Pade approximants
 

     Size of allocated memory per pool: ~=    1.7560 Gb
     Min. / Max. values of superconducting gap =     0.000000    5.345006 meV

     Size of required memory per pool: ~=    3.4317 Gb

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine mem_size_eliashberg (1):
     Size of required memory exceeds max_memlt
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
     

gkafle1
Posts: 31
Joined: Wed Jun 17, 2020 8:55 pm
Affiliation: Binghamton University

Re: Memory error, how to continue?

Post by gkafle1 »

Hi ray,

Could you please check what value are you setting under "max_memlt" flag? I would suggest increasing that value higher than the required value. Also, make sure you have enough memory per pool while running the calculations.

If the error persists, please provide your inputs.

Thanks!
Gyanu

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