BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES

[betterman58]

Dear EPW community,

I was trying to run epw for superconductivity parallell on 48 cores, then I encountered the error as "= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= PID 155177 RUNNING AT node2
= EXIT CODE: 134
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
"
Here I attach my epw.in file and the last part of the output file.
epw.in:
--
&inputepw
prefix = 'MgB2',
amass(1) = 24.305,
amass(2) = 10.811
outdir = './'

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

epwwrite = .true.
epwread = .false.

etf_mem = 1

nbndsub = 5,

wannierize = .true.
num_iter = 500
dis_froz_max= 8.8
proj(1) = 'B:pz'
proj(2) = 'f=0.5,1.0,0.5:s'
proj(3) = 'f=0.0,0.5,0.5:s'
proj(4) = 'f=0.5,0.5,0.5:s'

iverbosity = 2


eps_acustic = 2.0 ! Lowest boundary for the
ephwrite = .true. ! Writes .ephmat files used when wliasberg = .true.

fsthick = 1 ! eV
degaussw = 0.10 ! eV
nsmear = 1
delta_smear = 0.04 ! eV

degaussq = 0.5 ! meV
nqstep = 500

eliashberg = .true.

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

conv_thr_iaxis = 1.0d-4

wscut = 1.0 ! eV Upper limit over frequency integration/summation in the Elisashberg eq

nstemp = 3
temps = 40 50 60

nsiter = 500

muc = 0.16

dvscf_dir = '../../../save'
mp_mesh_k = .true.
nk1 = 6
nk2 = 6
nk3 = 6

nq1 = 6
nq2 = 6
nq3 = 6

nkf1 = 60
nkf2 = 60
nkf3 = 60

nqf1 = 20
nqf2 = 20
nqf3 = 20
/

part of output:
All q-points are done, no need to restart !!
===================================================================
Memory usage: VmHWM = 78Mb
VmPeak = 881Mb
===================================================================


===================================================================
Solve anisotropic Eliashberg equations
===================================================================


Finish reading freq file

Fermi level (eV) = 6.4697400972E+00
DOS(states/spin/eV/Unit Cell) = 3.4384419355E-01
Electron smearing (eV) = 1.0000000000E-01
Fermi window (eV) = 1.0000000000E+00
Nr irreducible k-points within the Fermi shell = 6093 out of 10261

2 bands within the Fermi window


Finish reading egnv file


Max nr of q-points = 4739


Finish reading ikmap files


Start reading .ephmat files


Finish reading .ephmat files

Electron-phonon coupling strength = 1.0576031

Estimated Allen-Dynes Tc = 23.338688 K for muc = 0.16000

Estimated w_log in Allen-Dynes Tc = 35.894876 meV

Estimated BCS superconducting gap = 3.539664 meV

WARNING WARNING WARNING

The code may crash since tempsmin = 40.000 K is larger than Allen-Dynes Tc = 23.339 K

temp( 1) = 40.00000 K

Solve anisotropic Eliashberg equations on imaginary-axis

Total number of frequency points nsiw( 1) = 46
Cutoff frequency wscut = 1.0071


Size of allocated memory per pool: ~= 2.1273 Gb
iter ethr znormi deltai [meV]
1 2.769015E+00 2.037771E+00 3.089868E+00
2 5.561795E-01 2.037605E+00 3.147044E+00
3 1.450283E-01 2.035324E+00 3.184261E+00
4 1.233927E-01 2.030677E+00 3.258026E+00
5 5.947376E-02 2.021880E+00 3.601840E+00
6 4.434783E-02 2.015298E+00 3.839174E+00
7 1.080637E-02 2.019203E+00 3.772663E+00
8 7.835614E-03 2.017941E+00 3.799664E+00
9 1.794057E-02 2.017068E+00 3.843091E+00
10 4.762320E-03 2.017134E+00 3.855031E+00
.........
100 3.472698E-04 2.002368E+00 4.563752E+00
101 1.623565E-04 2.002354E+00 4.564409E+00
102 1.917016E-04 2.002335E+00 4.565225E+00
103 1.996898E-04 2.002321E+00 4.566012E+00
104 3.063559E-04 2.002290E+00 4.567337E+00
105 1.760265E-04 2.002276E+00 4.568047E+00
106 2.380709E-04 2.002253E+00 4.569049E+00
107 2.405767E-04 2.002231E+00 4.570054E+00
108 1.186710E-04 2.002219E+00 4.570605E+00
109 1.959417E-04 2.002202E+00 4.571442E+00
110 2.133831E-04 2.002182E+00 4.572324E+00
111 9.188006E-05 2.002172E+00 4.572746E+00
Convergence was reached in nsiter = 111


Size of allocated memory per pool: ~= 2.1148 Gb
iaxis_imag : 3434.41s CPU 3457.57s WALL ( 1 calls)


Pade approximant of anisotropic Eliashberg equations from imaginary-axis to real-axis
Cutoff frequency wscut = 1.0000


Size of allocated memory per pool: ~= 2.4622 Gb
pade Re[znorm] Re[delta] [meV]
42 2.129620E+00 3.285988E+00

Convergence was reached for N = 42 Pade approximants


===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= PID 155177 RUNNING AT node2
= EXIT CODE: 134
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
===================================================================================

===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= PID 155177 RUNNING AT node2
= EXIT CODE: 6
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
===================================================================================
Intel(R) MPI Library troubleshooting guide:
https://software.intel.com/node/561764
===================================================================================

Would you please tell me the cause of this error and how to solve it?

Best regards,
Kevin

[hlee]

Dear Kevin:

It might not be related to your current issue, but there are some cases resulting in the out-of-bound error in the superconductivity calculations.
Which is the last file written to disk?

Sincerely,

H. Lee

[betterman58]

Hi Lee,

Thanks for your reply.

According to the time of files being produced, the latest files written to disk are MgB2.a2f*, MgB2.lambda* and MgB2.phdos*. Please see attached screenshots.

Do I need to change some of the parameters in the epw.in to solve this problem?

Best regards,
Kevin