[Pw_forum] Error in thermo_pw.x run

[Barnali Bhattacharya]

Dear Sir/Madam,

I am a user of Quantum espresso. I am interested in elastic constant and
install  thermo_pw.0.3.0  in the quantum espresso (QE 5.2.1) root
directory.  I have followed the flowing steps-

cd espresso-5.2.1
./configure  --enable-openmp
cd thermo_pw
make join_qe
cd  ../
make all

Without showing any error thermo_pw.x has been built, but when I am trying
to run example(example13) , I get the following error-
............................................................................................................................
  running thermo_pw.x as: mpirun -np 4
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x
-ni 2  -nk 1 -nd 1 -nb 1 -nt 1

  cleaning
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/tempdir... done
  running the thermo mur_lc_elastic_constants calculation
  to calculate the elastic constants of silicon at the
  equilibrium lattice constant. The results are in si.elastic.out...
[cluster:05522] *** Process received signal ***
[cluster:05522] Signal: Segmentation fault (11)
[cluster:05522] Signal code: Address not mapped (1)
[cluster:05522] Failing at address: 0xffffffff
[cluster:05521] *** Process received signal ***
[cluster:05521] Signal: Segmentation fault (11)
[cluster:05521] Signal code: Address not mapped (1)
[cluster:05521] Failing at address: 0xffffffff
[cluster:05522] [ 0] /lib64/libpthread.so.0() [0x392240f500]
[cluster:05522] [ 1]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(clean_ngeo_+0x24)
[0x459fe4]
[cluster:05522] [ 2]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(thermo_readin_+0x296a)
[0x4aa88a]
[cluster:05522] [ 3]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(MAIN__+0x65)
[0x44f145]
[cluster:05522] [ 4]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(main+0x2a)
[0xb742aa]
[cluster:05522] [ 5] /lib64/libc.so.6(__libc_start_main+0xfd) [0x392181ecdd]
[cluster:05522] [ 6]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x()
[0x44f019]
[cluster:05522] *** End of error message ***
[cluster:05521] [ 0] /lib64/libpthread.so.0() [0x392240f500]
[cluster:05521] [ 1]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(clean_ngeo_+0x24)
[0x459fe4]
[cluster:05521] [ 2]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(thermo_readin_+0x296a)
[0x4aa88a]
[cluster:05521] [ 3]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(MAIN__+0x65)
[0x44f145]
[cluster:05521] [ 4]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(main+0x2a)
[0xb742aa]
[cluster:05521] [ 5] /lib64/libc.so.6(__libc_start_main+0xfd) [0x392181ecdd]
[cluster:05521] [ 6]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x()
[0x44f019]
[cluster:05521] *** End of error message ***
[cluster:05524] *** Process received signal ***
[cluster:05524] Signal: Segmentation fault (11)
[cluster:05524] Signal code: Address not mapped (1)
[cluster:05524] Failing at address: 0xffffffff
[cluster:05523] *** Process received signal ***
[cluster:05523] Signal: Segmentation fault (11)
[cluster:05523] Signal code: Address not mapped (1)
[cluster:05523] Failing at address: 0xffffffff
[cluster:05524] [ 0] /lib64/libpthread.so.0() [0x392240f500]
[cluster:05524] [ 1]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(clean_ngeo_+0x24)
[0x459fe4]
[cluster:05524] [ 2]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(thermo_readin_+0x296a)
[0x4aa88a]
[cluster:05524] [ 3]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(MAIN__+0x65)
[0x44f145]
[cluster:05524] [ 4]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(main+0x2a)
[0xb742aa]
[cluster:05524] [ 5] /lib64/libc.so.6(__libc_start_main+0xfd) [0x392181ecdd]
[cluster:05524] [ 6]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x()
[0x44f019]
[cluster:05524] *** End of error message ***
[cluster:05523] [ 0] /lib64/libpthread.so.0() [0x392240f500]
[cluster:05523] [ 1]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(clean_ngeo_+0x24)
[0x459fe4]
[cluster:05523] [ 2]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(thermo_readin_+0x296a)
[0x4aa88a]
[cluster:05523] [ 3]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(MAIN__+0x65)
[0x44f145]
[cluster:05523] [ 4]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(main+0x2a)
[0xb742aa]
[cluster:05523] [ 5] /lib64/libc.so.6(__libc_start_main+0xfd) [0x392181ecdd]
[cluster:05523] [ 6]
/home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x()
[0x44f019]
[cluster:05523] *** End of error message ***

mpirun noticed that process rank 0 with PID 5521 on node cluster.hpc.org
exited on signal 11 (Segmentation fault).

Error condition encountered during test: exit status = 139
Aborting
[Utpal at cluster example13]$
............................................................................................................................................
I have checked that the libpthread.so.0 and libc.so.6 file are not in the
lib64 directory, it is in the lib directory.  I have checked the Makefile
of thermo_pw/src and make.sys of espresso-5.2.1. But could not understand
where  can I define  this path?
Could anyone please help me to solve this problem? Any sort of help will be
thankfully acknowledged.

Thanking you.

Sincerely
Barnali Bhattacharya
Ph.D student, Department of physics,
Assam university
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