[Wannier] [SPAM] wannier90 Calculating interruption issues
超级无敌大火车
2417693436 at qq.com
Tue Mar 4 16:52:15 CET 2025
Dear all:
When I run wannier90 on a supercomputing platform to calculate the graphene-copper foil composite system, the following problem occurs, any advice would be greatly appreciated:
When wannier orbitals are few it runs fine but the fit is not good, but if I increase the wannier orbitals to 38, there is a problem with the computation interrupting and there is no .werr file and there is enough hard disk space and there is no overflow of memory on the computation node.
Here are the files used for my calculations:
scf.in：
&CONTROL
title = 'SLG_unit',
calculation = 'scf',
restart_mode = 'from_scratch',
pseudo_dir = './'
/
&SYSTEM
ibrav = 0,
nat = 8,
ntyp = 2,
ecutwfc = 130,
occupations = 'smearing',
degauss = 0.02,
vdw_corr = DFT-D3,
smearing = 'gaussian',
nbnd=120
/
&ELECTRONS
electron_maxstep = 100,
conv_thr = 1.0d-10,
mixing_mode = 'plain',
mixing_beta = 0.3d0,
diagonalization = 'david'
/
&IONS
ion_positions = 'from_input',
ion_dynamics='damp'
/
&CELL
cell_dynamics = 'none'
/
ATOMIC_SPECIES
C 12.0106 C_ONCV_PBE_fr.upf
Cu 63.546 Cu_ONCV_PBE_fr.upf
CELL_PARAMETERS (angstrom)
2.5559999943 0.0000000000 0.0000000000
-1.2779999971 2.2135609271 0.0000000000
0.0000000000 0.0000000000 31.5347003937
ATOMIC_POSITIONS (angstrom)
Cu 0.0000000000 0.0000000000 10.4344522868
Cu 0.0000000000 0.0000000000 16.7416671131 1 1 0
Cu 1.2779999973 0.7378536423 8.3276822622
Cu 1.2779999973 0.7378536423 14.6547217693 1 1 0
Cu -0.0000000001 1.4757072848 6.2106593848
Cu -0.0000000001 1.4757072848 12.5447366353
C 1.2779999973 0.7378536423 20.1216671131 1 1 0
C -0.0000000001 1.4757072848 20.1216671131 1 1 0
K_POINTS automatic
14 14 1 0 0 0
nscf.in:
&CONTROL
title = 'SLG_unit',
calculation = 'nscf',
restart_mode = 'from_scratch',
pseudo_dir = './',
verbosity='high'
/
&SYSTEM
ibrav = 0,
nat = 8,
ntyp = 2,
ecutwfc = 130,
occupations = 'smearing',
degauss = 0.02,
vdw_corr = DFT-D3,
smearing = 'gaussian',
nosym = .true.,
noinv= .true.,
nbnd=120
/
&ELECTRONS
electron_maxstep = 100,
conv_thr = 1.0d-10,
mixing_mode = 'plain',
mixing_beta = 0.3d0,
diagonalization = 'david'
/
&IONS
ion_positions = 'from_input',
ion_dynamics='damp'
/
&CELL
cell_dynamics = 'none'
/
ATOMIC_SPECIES
C 12.0106 C_ONCV_PBE_fr.upf
Cu 63.546 Cu_ONCV_PBE_fr.upf
CELL_PARAMETERS (angstrom)
2.5559999943 0.0000000000 0.0000000000
-1.2779999971 2.2135609271 0.0000000000
0.0000000000 0.0000000000 31.5347003937
ATOMIC_POSITIONS (angstrom)
Cu 0.0000000000 0.0000000000 10.4344522868
Cu 0.0000000000 0.0000000000 16.7416671131 1 1 0
Cu 1.2779999973 0.7378536423 8.3276822622
Cu 1.2779999973 0.7378536423 14.6547217693 1 1 0
Cu -0.0000000001 1.4757072848 6.2106593848
Cu -0.0000000001 1.4757072848 12.5447366353
C 1.2779999973 0.7378536423 20.1216671131 1 1 0
C -0.0000000001 1.4757072848 20.1216671131 1 1 0
K_POINTS crystal
196
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aw.win:
num_bands =61
num_wann =38
dis_win_min = -8
dis_win_max = 18
dis_froz_min = 1
dis_froz_max =9.01
begin atoms_cart
Cu 0.0000000000 0.0000000000 10.4344522868
Cu 0.0000000000 0.0000000000 16.7416671131
Cu 1.2779999973 0.7378536423 8.3276822622
Cu 1.2779999973 0.7378536423 14.6547217693
Cu -0.0000000001 1.4757072848 6.2106593848
Cu -0.0000000001 1.4757072848 12.5447366353
C 1.2779999973 0.7378536423 20.1216671131
C -0.0000000001 1.4757072848 20.1216671131
end atoms_cart
begin projections
C : pz
Cu : s,d
end projections
mp_grid = 14 14 1
exclude_bands = 1-24,86-120
begin unit_cell_cart
2.5559999943 0.0000000000 0.0000000000
-1.2779999971 2.2135609271 0.0000000000
0.0000000000 0.0000000000 31.5347003937
end unit_cell_cart
begin kpoint_path
G 0.0000 0.0000 0.0000 M 0.5000 0.0000 0.0000
M 0.5000 0.0000 0.0000 K 0.3333 0.3333 0.0000
K 0.3333 0.3333 0.0000 G 0.0000 0.0000 0.0000
end kpoint_path
bands_plot = .true.
bands_plot_format=gnuplot
bands_num_points = 100
write_hr = .true.
begin kpoints
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0.57142857 0.21428571 0.00000000
0.57142857 0.28571429 0.00000000
0.57142857 0.35714286 0.00000000
0.57142857 0.42857143 0.00000000
0.57142857 0.50000000 0.00000000
0.57142857 0.57142857 0.00000000
0.57142857 0.64285714 0.00000000
0.57142857 0.71428571 0.00000000
0.57142857 0.78571429 0.00000000
0.57142857 0.85714286 0.00000000
0.57142857 0.92857143 0.00000000
0.64285714 0.00000000 0.00000000
0.64285714 0.07142857 0.00000000
0.64285714 0.14285714 0.00000000
0.64285714 0.21428571 0.00000000
0.64285714 0.28571429 0.00000000
0.64285714 0.35714286 0.00000000
0.64285714 0.42857143 0.00000000
0.64285714 0.50000000 0.00000000
0.64285714 0.57142857 0.00000000
0.64285714 0.64285714 0.00000000
0.64285714 0.71428571 0.00000000
0.64285714 0.78571429 0.00000000
0.64285714 0.85714286 0.00000000
0.64285714 0.92857143 0.00000000
0.71428571 0.00000000 0.00000000
0.71428571 0.07142857 0.00000000
0.71428571 0.14285714 0.00000000
0.71428571 0.21428571 0.00000000
0.71428571 0.28571429 0.00000000
0.71428571 0.35714286 0.00000000
0.71428571 0.42857143 0.00000000
0.71428571 0.50000000 0.00000000
0.71428571 0.57142857 0.00000000
0.71428571 0.64285714 0.00000000
0.71428571 0.71428571 0.00000000
0.71428571 0.78571429 0.00000000
0.71428571 0.85714286 0.00000000
0.71428571 0.92857143 0.00000000
0.78571429 0.00000000 0.00000000
0.78571429 0.07142857 0.00000000
0.78571429 0.14285714 0.00000000
0.78571429 0.21428571 0.00000000
0.78571429 0.28571429 0.00000000
0.78571429 0.35714286 0.00000000
0.78571429 0.42857143 0.00000000
0.78571429 0.50000000 0.00000000
0.78571429 0.57142857 0.00000000
0.78571429 0.64285714 0.00000000
0.78571429 0.71428571 0.00000000
0.78571429 0.78571429 0.00000000
0.78571429 0.85714286 0.00000000
0.78571429 0.92857143 0.00000000
0.85714286 0.00000000 0.00000000
0.85714286 0.07142857 0.00000000
0.85714286 0.14285714 0.00000000
0.85714286 0.21428571 0.00000000
0.85714286 0.28571429 0.00000000
0.85714286 0.35714286 0.00000000
0.85714286 0.42857143 0.00000000
0.85714286 0.50000000 0.00000000
0.85714286 0.57142857 0.00000000
0.85714286 0.64285714 0.00000000
0.85714286 0.71428571 0.00000000
0.85714286 0.78571429 0.00000000
0.85714286 0.85714286 0.00000000
0.85714286 0.92857143 0.00000000
0.92857143 0.00000000 0.00000000
0.92857143 0.07142857 0.00000000
0.92857143 0.14285714 0.00000000
0.92857143 0.21428571 0.00000000
0.92857143 0.28571429 0.00000000
0.92857143 0.35714286 0.00000000
0.92857143 0.42857143 0.00000000
0.92857143 0.50000000 0.00000000
0.92857143 0.57142857 0.00000000
0.92857143 0.64285714 0.00000000
0.92857143 0.71428571 0.00000000
0.92857143 0.78571429 0.00000000
0.92857143 0.85714286 0.00000000
0.92857143 0.92857143 0.00000000
end kpoints
pw2wan.in:
&inputpp
prefix = 'pwscf'
seedname = 'awco'
spin_component = 'none'
write_amn = .true.
write_mmn = .true.
/
Output：
……………………………………………………………………
31 -0.654E+00 6.0886377850 320.0722694926 55.52 <-- CONV
O_D= 192.1166000 O_OD= 84.8522259 O_TOT= 320.0722695 <-- SPRD
Delta: O_D= -0.3858274E+00 O_OD= -0.2679123E+00 O_TOT= -0.6537397E+00 <-- DLTA
------------------------------------------------------------------------------
Cycle: 32
WF centre and spread 1 ( 1.232920, 0.793929,-11.456904 ) 2.29396162
WF centre and spread 2 ( -0.058708, 1.568577,-11.470694 ) 3.01013375
WF centre and spread 3 ( -0.004407, 0.009091, 11.122066 ) 15.69173598
WF centre and spread 4 ( 0.000170, -0.000160, 10.440676 ) 0.61499418
WF centre and spread 5 ( 0.000203, -0.000420, 10.440507 ) 0.57402024
WF centre and spread 6 ( 0.000056, 0.000131, 10.440642 ) 0.57757192
WF centre and spread 7 ( 0.000059, 0.000911, 10.435068 ) 0.53488327
WF centre and spread 8 ( 0.000084, -0.000957, 10.435074 ) 0.53661705
WF centre and spread 9 ( -0.026379, -0.022258, -9.919495 ) 103.11139357
WF centre and spread 10 ( 0.000043, -0.000067,-14.799610 ) 0.54572035
WF centre and spread 11 ( 0.000023, 0.000699,-14.802826 ) 0.57664470
WF centre and spread 12 ( 0.000028, -0.000857,-14.802851 ) 0.57683399
WF centre and spread 13 ( 0.000257, 0.002511,-14.801385 ) 0.69444892
WF centre and spread 14 ( 0.000287, -0.003068,-14.801409 ) 0.69437017
WF centre and spread 15 ( 1.266808, 0.725696, 8.707743 ) 17.12485494
WF centre and spread 16 ( 1.278477, 0.737412, 8.345130 ) 0.95051533
WF centre and spread 17 ( 1.278227, 0.737057, 8.335131 ) 0.73858865
WF centre and spread 18 ( 1.277948, 0.738455, 8.335279 ) 0.73994582
WF centre and spread 19 ( 1.277966, 0.740828, 8.333267 ) 0.82459375
WF centre and spread 20 ( 1.278016, 0.734709, 8.332926 ) 0.80279239
WF centre and spread 21 ( 1.007301, 0.985265, 7.992628 ) 125.53067685
WF centre and spread 22 ( 1.278203, 0.737637, 14.649173 ) 0.61239368
WF centre and spread 23 ( 1.278060, 0.737344, 14.655618 ) 0.56254023
WF centre and spread 24 ( 1.278046, 0.738218, 14.655686 ) 0.56269617
WF centre and spread 25 ( 1.278744, 0.742635, 14.651591 ) 0.84096324
WF centre and spread 26 ( 1.278594, 0.731713, 14.651697 ) 0.83815668
WF centre and spread 27 ( 0.045268, 1.443025, 6.601430 ) 16.10829421
WF centre and spread 28 ( 0.000752, 1.475034, 6.257510 ) 1.65676189
WF centre and spread 29 ( 0.000107, 1.474343, 6.222375 ) 0.62827277
WF centre and spread 30 ( 0.000005, 1.476956, 6.222063 ) 0.61835710
WF centre and spread 31 ( 0.000769, 1.471623, 6.216845 ) 0.72876772
WF centre and spread 32 ( 0.001050, 1.478365, 6.217546 ) 0.75896277
WF centre and spread 33 ( -0.018782, 1.492103, 13.230773 ) 14.07992438
WF centre and spread 34 ( 0.000091, 1.475595, 12.575596 ) 0.75629351
WF centre and spread 35 ( 0.000728, 1.468069, 12.564808 ) 0.82119844
WF centre and spread 36 ( 0.000028, 1.482608, 12.564984 ) 0.82342022
WF centre and spread 37 ( 0.000076, 1.477735, 12.548860 ) 0.57402708
WF centre and spread 38 ( 0.000107, 1.473557, 12.548697 ) 0.57414969
Sum of centres and spreads ( 16.231225, 29.124044,201.876217 ) 318.29047723
32 -0.178E+01 9.2093033345 318.2904794912 55.74 <-- CONV
O_D= 190.8027896 O_OD= 84.3842463 O_TOT= 318.2904795 <-- SPRD
Delta: O_D= -0.1313810E+01 O_OD= -0.4679796E+00 O_TOT= -0.1781790E+01 <-- DLTA
------------------------------------------------------------------------------
Cycle: 33
aw.wout end here
Slurm standard output：
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: No such file or directory
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B426B99BB15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002ACBBC849B15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B39CFDCCB15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B0B05DA6B15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B695CD09B15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002AD9C14D5B15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B013579BB15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002BA86591BB15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002AE34C788B15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B5609650B15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B06C7438B15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B62029F6B15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B77B0522B15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002AFB8C734B15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B2E58BEAB15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B30BE2A7B15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B55FFC79B15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B2162B40B15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B321047CB15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002AE1B9E43B15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B32C9104B15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B88D0164B15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B84AF004B15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B99A2EF0B15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B8FD625DB15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002AF0DACAEB15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
forrtl: severe (28): CLOSE error, unit 10, file "Unknown"
Image PC Routine Line Source
wannier90.x 0000000000546463 Unknown Unknown Unknown
wannier90.x 000000000053AF48 Unknown Unknown Unknown
wannier90.x 0000000000404B02 Unknown Unknown Unknown
wannier90.x 0000000000403B1E Unknown Unknown Unknown
libc-2.17.so 00002B88D184CB15 __libc_start_main Unknown Unknown
wannier90.x 0000000000403A29 Unknown Unknown Unknown
yhrun: error: cn1140: tasks 0-10,12-27: Exited with exit code 28
yhrun: First task exited 60s ago
yhrun: task 11: running
yhrun: tasks 0-10,12-27: exited abnormally
yhrun: Terminating job step 14335385.2
slurmstepd: error: *** STEP 14335385.2 ON cn1140 CANCELLED AT 2025-03-04T14:46:27 ***
yhrun: Job step aborted: Waiting up to 32 seconds for job step to finish.
yhrun: error: cn1140: task 11: Killed
Best regards,
Baoshuo Jia
Hunan University, China
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