[Thermo_pw-forum] Error in thermo_pw.x run

Thu Dec 10 09:48:06 CET 2015

Please subscribe to the mailing list.

This error has been corrected in the cvs version.
Please change line 782

CALL clean_ngeo()

with

CALL clean_ngeo(ngeo,ibrav)

See also the commit

http://www.qe-forge.org/gf/project/thermo_pw/scmcvs/?action=ScmCommitDetail&scm_commit_id=21109

Andrea

On Thu, 2015-12-10 at 07:41 +0530, Barnali Bhattacharya 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
> _______________________________________________
> Thermo_pw-forum mailing list
> Thermo_pw-forum at qeforge.qe-forge.org
> http://qeforge.qe-forge.org/mailman/listinfo/thermo_pw-forum

-- 
Andrea Dal Corso                    Tel. 0039-040-3787428
SISSA, Via Bonomea 265              Fax. 0039-040-3787249
I-34136 Trieste (Italy)             e-mail: dalcorso at sissa.it