Memory error, how to continue?
Posted: Sat Jun 17, 2023 2:51 am
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?
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
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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
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stopping ...