[Pw_forum] Error in thermo_pw.x run

Thu Dec 10 12:41:29 CET 2015

Dear Barnali and Dear All Developers and Users,
I am also getting the same error when running it on single machine with
mpirun.
Kindly anybody, help in this regards. I am trying to run example01 and
errors are:::

bpp at bpp:~/espresso-5.2.1/thermo_pw/examples/example01$ ./run_example

/home/bpp/espresso-5.2.1/thermo_pw/examples/example01 : starting

This example shows how to use thermo_pw.x to make a self-consistent
calculation of Silicon.

  executables directory: /home/bpp/espresso-5.2.1/bin
  pseudo directory:      /home/bpp/espresso-5.2.1/pseudo
  temporary directory:   /home/bpp/espresso-5.2.1/tempdir
  checking that needed directories and files exist... done

  running thermo_pw.x as: mpirun -np 4
/home/bpp/espresso-5.2.1/bin/thermo_pw.x -ni 2

  cleaning /home/bpp/espresso-5.2.1/tempdir... done
  running the scf calculation for Si...
Program received signal SIGSEGV: Segmentation fault - invalid memory
reference.

Backtrace for this error:
#0
Program received signal SIGSEGV: Segmentation fault - invalid memory
reference.

Backtrace for this error:
#0  0xB736E133
#1  0xB736E7D0
#2  0xB76FC403
0xB73B4133
#1  0xB73B47D0
#2  0xB7742403
#3  0x8057E2F in clean_ngeo_ at initialize_thermo_work.f90:338
#4  0x8099B08 in thermo_readin_ at thermo_readin.f90:569
#5  #3  0x804DF7B in thermo_pw at thermo_pw.f90:140
0x8057E2F in clean_ngeo_ at initialize_thermo_work.f90:338
#4  0x8099B08 in thermo_readin_ at thermo_readin.f90:569
#5  0x804DF7B in thermo_pw at thermo_pw.f90:140

Program received signal SIGSEGV: Segmentation fault - invalid memory
reference.

Backtrace for this error:
#0
Program received signal SIGSEGV: Segmentation fault - invalid memory
reference.

Backtrace for this error:
0xB73A4133
#1  0xB73A47D0
#2  0xB7732403
#0  0xB7351133
#1  0xB73517D0
#2  0xB76DF403
#3  0x8057E2F in clean_ngeo_ at initialize_thermo_work.f90:338
#4  #3  0x8099B08 in thermo_readin_ at thermo_readin.f90:569
#5  0x804DF7B in thermo_pw at thermo_pw.f90:140
0x8057E2F in clean_ngeo_ at initialize_thermo_work.f90:338
#4  0x8099B08 in thermo_readin_ at thermo_readin.f90:569
#5  0x804DF7B in thermo_pw at thermo_pw.f90:140
Error condition encountered during test: exit status = 139
Aborting
You kind help  will highly appreciated.

-- 
Regards
Dr. Bramha P Pandey
Asstt. Prof. ECE Deptt.
GLA University, Mathura (U.P)
India-281406.

On Wed, Dec 9, 2015 at 6:20 PM, Barnali Bhattacharya <
barnalidgbhatt at gmail.com> wrote:

> 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
>
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20151210/257cc9d1/attachment.html>