[Pw_forum] dos.x : segmentation fault occurred

[B S Bhushan]

Dear Experts,

I am trying to extract the DOS profiles for some graphene systems using
Supercomputing facility.

First, I performed VC-relax and then NSCF (I have not manually updated the
relaxed coordinates in the nscf input file, since nscf automatically reads
them from previous scf run). Then I tried to execute dos.x, however I am
getting segmentation fault error as shown below.

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Program DOS v.6.1 (svn rev. 13369) starts on  6Nov2017 at 23:32:32

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details
at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on    16 processors
     R & G space division:  proc/nbgrp/npool/nimage =      16

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source
dos.x              000000000073A4B1  qexml_module_mp_q        3753
qexml.f90
dos.x              000000000055AD27  pw_restart_mp_rea        2101
pw_restart.f90
dos.x              00000000005579E4  pw_restart_mp_pw_        1057
pw_restart.f90
dos.x              000000000040A828  read_xml_file_            240
read_file.f90
dos.x              0000000000406331  MAIN__                     95  dos.f90
dos.x              000000000040621C  Unknown               Unknown  Unknown
libc.so.6          0000003FF541ECDD  Unknown               Unknown  Unknown
dos.x              0000000000406119  Unknown               Unknown  Unknown
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


I am not getting any error, if I run dos.x directly after vc-relax.
However, If I run dos.x after NSCF the error appears.

The input script for vc-relax, nscf are attached with the mail here.

I thank you very much for your precious time and knowledge.


Sincerely,
B S Bhushan
Ph.D Scholar,
ABV-IIITM Gwalior, India.
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