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
/
My job has jump out when epw.x
Moderator: stiwari
-
- Posts: 17
- Joined: Thu Sep 29, 2022 12:51 pm
- Affiliation: Physics-superconduct
Re: My job has jump out when epw.x
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
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
-
- Posts: 17
- Joined: Thu Sep 29, 2022 12:51 pm
- Affiliation: Physics-superconduct
Re: My job has jump out when epw.x
Thanks a lot,i run again ,it works