My job has jump out when epw.x

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1504463450
Posts: 17
Joined: Thu Sep 29, 2022 12:51 pm
Affiliation: Physics-superconduct

My job has jump out when epw.x

Post by 1504463450 »

Dear friends
when i use mpi npool 16 run my epw.in it is down ,i don't know how to do please help me.
this is the last epw.out,and my epw.in show next .
your sincerely
shi
Number of ep-matrix elements per pool : 32400 ~= 253.12 Kb (@ 8 bytes/ DP)

A selecq.fmt file was found but re-created because selecqread == .FALSE.
Number selected, total 100 100
Number selected, total 200 200
Number selected, total 300 300
Number selected, total 400 400
We only need to compute 400 q-points




epw.in

&inputepw
prefix = 'LiBC',
amass(1) = 6.941,
amass(2) = 10.811,
amass(3) = 12.0107,
outdir = './'

ep_coupling = .true.
elph = .true.
epbwrite = .true.
epbread = .false.

epwwrite = .true.
epwread = .false.

etf_mem = 1

nbndsub = 9,

wannierize = .true.
num_iter = 500
dis_froz_max= 5
proj(1) = 'Li:p'
proj(2) = 'B:p'
proj(3) = 'C:p'

iverbosity = 2

eps_acustic = 2.0
ephwrite = .true. ! Writes .ephmat files used when Eliasberg = .true.

fsthick = 4 ! eV
degaussw = 0.05 ! eV
nsmear = 1
delta_smear = 0.04 ! eV

degaussq = 0.5 ! meV
nqstep = 500

fermi_plot = .true.
ephwrite = .true.

eliashberg = .true.

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

conv_thr_iaxis = 1.0d-3

wscut = 0.5 ! eV Upper limit over frequency integration/summation in the Elisashberg eq

nstemp = 11 ! Nr. of temps
temps = 10 60 ! K provide list of temperetures OR (nstemp and temps = tempsmin tempsmax for even space mode)

nsiter = 500

muc = 0.13

dvscf_dir = './save'

nk1 = 10
nk2 = 10
nk3 = 1

nq1 = 5
nq2 = 5
nq3 = 1

mp_mesh_k = .true.

nkf1 = 40
nkf2 = 40
nkf3 = 1

nqf1 = 20
nqf2 = 20
nqf3 = 1
/

hpaudya1
Posts: 190
Joined: Tue Mar 21, 2017 7:11 pm
Affiliation:

Re: My job has jump out when epw.x

Post by hpaudya1 »

Hi Shi,

Do you have any error/out messages printed somewhere? It is not easy to say exactly what is going on based on what you shared. One thing I can recommend is to lower your fine meshes, for example nkf1 = 10, nkf2 = 10 and nqf1 = 5, nqf2 = 5 and see if you could run or not.

Happy EPWing,
Hari

1504463450
Posts: 17
Joined: Thu Sep 29, 2022 12:51 pm
Affiliation: Physics-superconduct

Re: My job has jump out when epw.x

Post by 1504463450 »

Thanks a lot,i run again ,it works

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