[QE-users] plotband.x error

[venky ch]

Dear QE users,

I am using QE6.5 to generate the band structure of monolayer MoS2.  I have
done all the calculations in order to generate the band structure as
given below.

1. optimization  (pw.x)
2. scf calculation (pw.x)
3. nscf with high k-mesh (pw.x)
4.bands (bands.x) has run using the command, for example as given below

aprun -j 1 -n 96 -N 24  bands.x   -npool 4 -input  band.in > band.out

This generates the "bandx.dat" file which contains the band energies for
different k-points

But when I run the "plotband.x" (at the terminal) , while reading the
above  "bandx.dat" file, it gives an error as given below.

============

(base) isuch at login1:~/qesim/cv2113/cv211301/band3> plotband.x
     Input file > bandx.dat
Reading   13 bands at    351 k-points

Program received signal SIGILL: Illegal instruction.

Backtrace for this error:
#0  0x2b237b74259f in ???
#1  0x403436 in plotband
        at
/mnt/lustre/new_apps/cle7/espresso/6.5/gcc/8.3.0/tar/qe-6.5/PP/src/plotband.f90:208
#2  0x4021fc in main
        at
/mnt/lustre/new_apps/cle7/espresso/6.5/gcc/8.3.0/tar/qe-6.5/PP/src/plotband.f90:23
Illegal instruction (core dumped)
(base) isuch at login1:~/qesim/cv2113/cv211301/band3>

============

I have attached the bandx.dat file for your reference. Kindly let me know
how I can resolve this error.

thanks

with regards,
venkatesh
IAP department
IISc, Bangalore
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210914/92c30fd3/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: bandx.dat
Type: application/octet-stream
Size: 56191 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210914/92c30fd3/attachment.obj>