EPW Forum

i am using qe-6.3 and epw-5.0 and i am getting this error

AMN
munmap_chunk(): invalid pointer

Program received signal SIGABRT: Process abort signal.

Backtrace for this error:
#0 0x7f683fbdd2ed in ???
#1 0x7f683fbdc503 in ???
#2 0x7f683f03af1f in ???
#3 0x7f683f03ae97 in ???
#4 0x7f683f03c800 in ???
#5 0x7f683f085896 in ???
#6 0x7f683f08c909 in ???
#7 0x7f683f093ecb in ???
#8 0x55909033f9c6 in __becmod_MOD_deallocate_bec_type
at /home/sylvester/applications/q-e-qe-6.3/Modules/becmod.f90:396
#9 0x55908ff782ad in compute_amn_para_
at /home/sylvester/applications/q-e-qe-6.3/EPW/src/pw2wan90epw.f90:736
#10 0x55908ff7e295 in pw2wan90epw_
at /home/sylvester/applications/q-e-qe-6.3/EPW/src/pw2wan90epw.f90:78
#11 0x55908ff6a705 in wann_run_
at /home/sylvester/applications/q-e-qe-6.3/EPW/src/wannierize.f90:69
#12 0x55908fef3131 in epw
at /home/sylvester/applications/q-e-qe-6.3/EPW/src/epw.f90:137
#13 0x55908fef2eee in main
at /home/sylvester/applications/q-e-qe-6.3/EPW/src/epw.f90:23
Aborted

Dear Sylvester10:

I don't know about EPW v5.0 .

If there is no specific reason to use EPW v5.0 in QE v6.3, could you try to use the official EPW v5.2 or development version so as to check whether or not the same error is still present?
If you encounter the same error in EPW v5.2, please provide more information such as your inputs, outputs, and pseudopotentials.

You can download the official EPW v5.2 included in the official QE v6.5 at https://gitlab.com/QEF/q-e/-/releases .

Sincerely,

H. Lee

thank you Lee,
I increased the k-mesh in scf calculation, but now I get this ,
===========================================
Error in routine dynmat (1):
wrong qpoint
===========================================
how do I solve this,
I have used the same q-mesh in ph.in and epw.in.

sylvester

EPW v5.2 worked well, I am the one doing some mistakes in choosing the k- and q-points. Thank you.