Dear EPW developers,
I encountered following error message when running EPW in parallel:
[code:1wuus0j6]
......
The .epb files have been correctly written
band disentanglement is used: nbndsub = 11
Writing Hamiltonian, Dynamical matrix and EP vertex in Wann rep to file
Reading Hamiltonian, Dynamical matrix and EP vertex in Wann rep from file
Finished reading Wann rep data from file
Using q-mesh file: mesh.dat
WARNING: q-point weigths do not add up to 1 [loadqmesh_serial]
Size of q point mesh for interpolation: 40401
Using k-mesh file: mesh_K.dat
Size of k point mesh for interpolation: 2
Max number of k points per pool: 2
Fermi energy coarse grid = 2.988602 eV
Skipping the first 2 bands:
The Fermi level will be determined with 14.00000 electrons
forrtl: severe (174): SIGSEGV, segmentation fault occurred
[/code:1wuus0j6]
And the input file is:
[code:1wuus0j6]
&inputepw
prefix = ‘mos2’
amass(1) = 95.94,
amass(2) = 32.065,
outdir = ‘./’
iverbosity = 3
lpolar = .true.
elph = .true.
epbwrite = .true.
epbread = .false.
epwwrite = .true.
epwread = .false.
etf_mem = .false.
wannierize = .true.
nbndsub = 11
nbndskip = 2
dis_win_max = 8.342 ! Top of the outer energy window
dis_win_min = -3.005 ! Bottom of the outer energy window
dis_froz_max = 0.0
dis_froz_min = 0.0
num_iter = 1000
proj(1) = ‘Mo:d’
proj(2) = ‘S:p’
wdata(1) = ‘num_bands : 20’
wdata(2) = ‘wannier_plot : true’
wdata(3) = ‘hr_plot : true’
wdata(4) = ‘dis_num_iter = 1000’
wdata(5) = ‘kmesh_tol = 0.00001’
write_wfn = .true. ! output UNK files
elecselfen = .true.
dvscf_dir = ‘../ph/save’
filkf = ‘mesh1.dat’
filqf = ‘mesh2.dat’
nk1 = 12
nk2 = 12
nk3 = 1
nq1 = 12
nq2 = 12
nq3 = 1
/
43 cartesian
0.000000000000000E+00 0.000000000000000E+00 0.000000000000000E+00 1.0
0.000000000000000E+00 0.962253152061104E-01 0.000000000000000E+00 1.0
0.000000000000000E+00 0.192450630412221E+00 0.000000000000000E+00 1.0
0.000000000000000E+00 0.288675945618331E+00 0.000000000000000E+00 1.0
0.000000000000000E+00 0.384901260824442E+00 0.000000000000000E+00 1.0
0.000000000000000E+00 0.481126576030552E+00 0.000000000000000E+00 1.0
0.000000000000000E+00 -0.577351891236662E+00 0.000000000000000E+00 1.0
0.833333333333333E-01 0.481126575877263E-01 0.000000000000000E+00 1.0
0.833333333333333E-01 0.144337972793837E+00 0.000000000000000E+00 1.0
0.833333333333333E-01 0.240563287999947E+00 0.000000000000000E+00 1.0
0.833333333333333E-01 0.336788603206058E+00 0.000000000000000E+00 1.0
0.833333333333333E-01 0.433013918412168E+00 0.000000000000000E+00 1.0
0.833333333333333E-01 0.529239233618278E+00 0.000000000000000E+00 1.0
0.166666666666667E+00 0.962253151754527E-01 0.000000000000000E+00 1.0
0.166666666666667E+00 0.192450630381563E+00 0.000000000000000E+00 1.0
0.166666666666667E+00 0.288675945587674E+00 0.000000000000000E+00 1.0
0.166666666666667E+00 0.384901260793784E+00 0.000000000000000E+00 1.0
0.166666666666667E+00 0.481126575999894E+00 0.000000000000000E+00 1.0
0.166666666666667E+00 0.577351891206005E+00 0.000000000000000E+00 1.0
0.166666666666667E+00 -0.306577541131503E-10 0.000000000000000E+00 1.0
0.250000000000000E+00 0.144337972763179E+00 0.000000000000000E+00 1.0
0.250000000000000E+00 0.240563287969289E+00 0.000000000000000E+00 1.0
0.250000000000000E+00 0.336788603175400E+00 0.000000000000000E+00 1.0
0.250000000000000E+00 0.433013918381510E+00 0.000000000000000E+00 1.0
0.250000000000000E+00 0.529239233587621E+00 0.000000000000000E+00 1.0
0.250000000000000E+00 -0.481126576490417E-01 0.000000000000000E+00 1.0
0.333333333333333E+00 0.192450630350905E+00 0.000000000000000E+00 1.0
0.333333333333333E+00 0.288675945557016E+00 0.000000000000000E+00 1.0
0.333333333333333E+00 0.384901260763126E+00 0.000000000000000E+00 1.0
0.333333333333333E+00 0.481126575969237E+00 0.000000000000000E+00 1.0
0.333333333333333E+00 0.577351891175347E+00 0.000000000000000E+00 1.0
0.333333333333333E+00 -0.962253152674258E-01 0.000000000000000E+00 1.0
0.333333333333333E+00 -0.613153972039981E-10 0.000000000000000E+00 1.0
0.416666666666667E+00 0.240563287938632E+00 0.000000000000000E+00 1.0
0.416666666666667E+00 0.336788603144742E+00 0.000000000000000E+00 1.0
0.416666666666667E+00 0.433013918350853E+00 0.000000000000000E+00 1.0
0.416666666666667E+00 0.529239233556963E+00 0.000000000000000E+00 1.0
0.416666666666667E+00 -0.144337972885810E+00 0.000000000000000E+00 1.0
0.416666666666667E+00 -0.481126576796995E-01 0.000000000000000E+00 1.0
-0.500000000000000E+00 -0.288675945526358E+00 0.000000000000000E+00 1.0
-0.500000000000000E+00 -0.192450630320248E+00 0.000000000000000E+00 1.0
-0.500000000000000E+00 -0.962253151141373E-01 0.000000000000000E+00 1.0
-0.500000000000000E+00 0.919731513171484E-10 0.000000000000000E+00 1.0
[/code:1wuus0j6]
The command I use to run the code is:
[code:1wuus0j6]
mpirun -np 48 $QE_DIR/bin/epw.x -npool 48 -input 03_epw.in | tee 03_epw.out
[/code:1wuus0j6]
The mesh files are tested and they work correctly. Would it be possible that it’s a bug or is there something wrong in my input file? I really appreciate your help!
Thank you!