[QE-users] can someone figure out why I get this error please?

[Lucian D. Filip]

Can someone please help me figure out why I get this error right at the 
end of a scf calculation? I have tried QE 6.8 and 7.0. The error appears 
right after convergence is finished and it starts writing the data to files.


[thor1:10342:0:10342] Caught signal 11 (Segmentation fault: address not 
mapped to object at address 0x7ffdc1593910)
==== backtrace (tid:  10342) ====
  0 0x0000000000012c20 __funlockfile()  :0
  1 0x0000000005fb8762 fox_m_fsys_format_mp_real_dp_str_()  ???:0
  2 0x0000000005fcc963 fox_m_fsys_format_mp_str_real_dp_fmt_() ???:0
  3 0x0000000005fc3e34 
fox_m_fsys_format_mp_str_real_dp_array_fmt_chk_()  ???:0
  4 0x0000000005f7671a m_wxml_overloads_mp_charactersarrayrealdp_()  ???:0
  5 0x00000000009e9bff qes_write_module_mp_qes_write_output_() ???:0
  6 0x00000000005565bd pw_restart_new_mp_pw_write_schema_()  ???:0
  7 0x0000000000552284 punch_()  ???:0
  8 0x0000000000597f9d run_pwscf_()  ???:0
  9 0x0000000000414ce1 MAIN__()  ???:0
10 0x0000000000414b22 main()  ???:0
11 0x0000000000023493 __libc_start_main()  ???:0
12 0x0000000000414a2e _start()  ???:0
=================================
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine Line        Source
pw.x               000000000636E3BA  for__signal_handl Unknown  Unknown
libpthread-2.28.s  00007F933D03FC20  Unknown Unknown  Unknown
pw.x               0000000005FB8762  Unknown Unknown  Unknown
pw.x               0000000005FCC963  Unknown Unknown  Unknown
pw.x               0000000005FC3E34  Unknown Unknown  Unknown
pw.x               0000000005F7671A  Unknown Unknown  Unknown
pw.x               00000000009E9BFF  Unknown Unknown  Unknown
pw.x               00000000005565BD  Unknown Unknown  Unknown
pw.x               0000000000552284  Unknown Unknown  Unknown
pw.x               0000000000597F9D  Unknown Unknown  Unknown
pw.x               0000000000414CE1  Unknown Unknown  Unknown
pw.x               0000000000414B22  Unknown Unknown  Unknown
libc-2.28.so       00007F933A115493  __libc_start_main Unknown  Unknown
pw.x               0000000000414A2E  Unknown Unknown  Unknown

Here is the end of the scf output file:


      TS-vdW  stress (kbar)      0.00      0.00      0.00
                                 0.00      0.00      0.00
                                 0.00      0.00      0.00


                                 0.00      0.00      0.00
                                 0.00      0.00      0.00


                                 0.00      0.00      0.00


      Writing output data file 
vac-5sro-5ptoD-7sto-5ptoU-5sro-vac/vac-5sro-5ptoD-7sto-5ptoU-5sro-vac.save/

===================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   RANK 1 PID 10343 RUNNING AT thor1
=   KILLED BY SIGNAL: 9 (Killed)
===================================================================================

Convergence was achieved but no matter what I do I get the same thing.


Thank you!


-- 
*Dr. Lucian Dragos Filip*
National Institute of Materials Physics
Atomistilor str. 405A, PO Box MG. 7
Magurele, 077125
Bucharest, Romania
E-mail: lucian.filip at infim.ro
Website: https://lucianfilip.wordpress.com/
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