EPW.x stops just before it does the electron self energy calculation

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vinpandey
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Joined: Thu Jul 13, 2017 6:23 am
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EPW.x stops just before it does the electron self energy calculation

Post by vinpandey »

Deal all,
I am doing the electron self-energy calculation for Fe2VGa. I am facing an issue when I am running the epw.x calculation, it stops just before it does the electron self energy calculation and gives me segmentation fault error. I am using the new EPW v5.6 and have successfully run the diamond example for electron self energy calculation.
Following is the epw input file for Fe2VGa.

--
&inputepw
prefix = 'fe2vga'
amass(1) = 55.845
amass(2) = 50.9415
amass(3) = 69.723
outdir = './'
dvscf_dir = './save'
etf_mem = 0
elph = .true.
epbwrite = .true.
epbread = .false.
epwwrite = .true.
epwread = .false.
restart=.true.
!iverbosity=0
!!lpolar = .true.
wannierize = .true.
nbndsub = 24
!!nbndskip = 11
efermi_read= .true.
fermi_energy= 18.20

dis_win_max = 30.0d0
dis_froz_max = 18.0d0
dis_win_min = 0.0d0
iprint = 2

num_iter = 50000

proj(1)= 'Fe:d'
proj(2)= 'V:d'
proj(3)= 'Fe:p'
proj(4)= 'V:p'
wdata(1) = 'dis_num_iter = 50000'
wdata(2) = 'dis_mix_ratio = 0.1d0'
wdata(3) = 'num_print_cycles = 5000'
wdata(4) = 'exclude_bands = 1-9,34, 35'
wdata(5) = 'bands_plot = .true.'
wdata(6) = 'begin kpoint_path'
wdata(7) = 'W 0.25000000 0.75000000 0.500000000 L 0.50000000 0.50000000 0.500000000'
wdata(8) = 'L 0.50000000 0.50000000 0.500000000 G 0.00000000 0.00000000 0.000000000'
wdata(9) = 'G 0.00000000 0.00000000 0.000000000 X 0.000000 0.50000000 0.500000000'
wdata(10) = 'X 0.000000 0.50000000 0.500000000 W 0.25000000 0.75000000 0.500000000'
wdata(11)= 'W 0.25000000 0.75000000 0.500000000 K 0.3750000 0.75000000 0.3750000000'
wdata(12) = 'end kpoint_path'
wdata(13) = 'bands_num_points = 100'


elecselfen = .true.

fsthick = 1.5 ! eV
temps = 300 ! K
degaussw = 0.01 ! eV
filkf = 'path.dat'

nqf1 = 40
nqf2 = 40
nqf3 = 40

nk1 = 8
nk2 = 8
nk3 = 8

nq1 = 2
nq2 = 2
nq3 = 2
/

Below is my error file:
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
epw.x 000000000120B051 Unknown Unknown Unknown
epw.x 000000000120918B Unknown Unknown Unknown
epw.x (deleted) 0000000001193DA4 Unknown Unknown Unknown
epw.x (deleted) 0000000001193BB6 Unknown Unknown Unknown
epw.x (deleted) 0000000001114379 Unknown Unknown Unknown
epw.x 000000000111D396 Unknown Unknown Unknown
libpthread-2.17.s 00007FCAB2805100 Unknown Unknown Unknown
epw.x 00000000004E04F1 wan2bloch_mp_ephw 1834 wan2bloch.f90
epw.x (deleted) 00000000004474DF Unknown Unknown Unknown
epw.x 000000000042D31F elphon_shuffle_wr 1001 elphon_shuffle_wrap.f90
epw.x 0000000000407A1F MAIN__ 148 epw.f90
epw.x 0000000000406D9E Unknown Unknown Unknown
libc-2.17.so 00007FCAB2154B15 __libc_start_main Unknown Unknown
epw.x 0000000000406CA9 Unknown Unknown Unknown

If I try using etf_mem=1, I get segmentation fault error just after it does the phonon calculation.
Can anybody help me out?

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