<div dir="ltr">Dear Sir/Madam,<br><br>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-<br><br>cd espresso-5.2.1<br>./configure  --enable-openmp<br>cd thermo_pw<br>make join_qe<br>cd  ../<br>make all<br><br>Without showing any error thermo_pw.x has been built, but when I am trying to run example(example13) , I get the following error-<br>............................................................................................................................<br>  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 <br><br>  cleaning /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/tempdir... done<br>  running the thermo mur_lc_elastic_constants calculation<br>  to calculate the elastic constants of silicon at the <br>  equilibrium lattice constant. The results are in si.elastic.out... [cluster:05522] *** Process received signal ***<br>[cluster:05522] Signal: Segmentation fault (11)<br>[cluster:05522] Signal code: Address not mapped (1)<br>[cluster:05522] Failing at address: 0xffffffff<br>[cluster:05521] *** Process received signal ***<br>[cluster:05521] Signal: Segmentation fault (11)<br>[cluster:05521] Signal code: Address not mapped (1)<br>[cluster:05521] Failing at address: 0xffffffff<br>[cluster:05522] [ 0] /lib64/libpthread.so.0() [0x392240f500]<br>[cluster:05522] [ 1] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(clean_ngeo_+0x24) [0x459fe4]<br>[cluster:05522] [ 2] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(thermo_readin_+0x296a) [0x4aa88a]<br>[cluster:05522] [ 3] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(MAIN__+0x65) [0x44f145]<br>[cluster:05522] [ 4] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(main+0x2a) [0xb742aa]<br>[cluster:05522] [ 5] /lib64/libc.so.6(__libc_start_main+0xfd) [0x392181ecdd]<br>[cluster:05522] [ 6] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x() [0x44f019]<br>[cluster:05522] *** End of error message ***<br>[cluster:05521] [ 0] /lib64/libpthread.so.0() [0x392240f500]<br>[cluster:05521] [ 1] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(clean_ngeo_+0x24) [0x459fe4]<br>[cluster:05521] [ 2] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(thermo_readin_+0x296a) [0x4aa88a]<br>[cluster:05521] [ 3] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(MAIN__+0x65) [0x44f145]<br>[cluster:05521] [ 4] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(main+0x2a) [0xb742aa]<br>[cluster:05521] [ 5] /lib64/libc.so.6(__libc_start_main+0xfd) [0x392181ecdd]<br>[cluster:05521] [ 6] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x() [0x44f019]<br>[cluster:05521] *** End of error message ***<br>[cluster:05524] *** Process received signal ***<br>[cluster:05524] Signal: Segmentation fault (11)<br>[cluster:05524] Signal code: Address not mapped (1)<br>[cluster:05524] Failing at address: 0xffffffff<br>[cluster:05523] *** Process received signal ***<br>[cluster:05523] Signal: Segmentation fault (11)<br>[cluster:05523] Signal code: Address not mapped (1)<br>[cluster:05523] Failing at address: 0xffffffff<br>[cluster:05524] [ 0] /lib64/libpthread.so.0() [0x392240f500]<br>[cluster:05524] [ 1] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(clean_ngeo_+0x24) [0x459fe4]<br>[cluster:05524] [ 2] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(thermo_readin_+0x296a) [0x4aa88a]<br>[cluster:05524] [ 3] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(MAIN__+0x65) [0x44f145]<br>[cluster:05524] [ 4] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(main+0x2a) [0xb742aa]<br>[cluster:05524] [ 5] /lib64/libc.so.6(__libc_start_main+0xfd) [0x392181ecdd]<br>[cluster:05524] [ 6] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x() [0x44f019]<br>[cluster:05524] *** End of error message ***<br>[cluster:05523] [ 0] /lib64/libpthread.so.0() [0x392240f500]<br>[cluster:05523] [ 1] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(clean_ngeo_+0x24) [0x459fe4]<br>[cluster:05523] [ 2] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(thermo_readin_+0x296a) [0x4aa88a]<br>[cluster:05523] [ 3] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(MAIN__+0x65) [0x44f145]<br>[cluster:05523] [ 4] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(main+0x2a) [0xb742aa]<br>[cluster:05523] [ 5] /lib64/libc.so.6(__libc_start_main+0xfd) [0x392181ecdd]<br>[cluster:05523] [ 6] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x() [0x44f019]<br>[cluster:05523] *** End of error message ***<br><br>mpirun noticed that process rank 0 with PID 5521 on node <a href="http://cluster.hpc.org">cluster.hpc.org</a> exited on signal 11 (Segmentation fault).<br><br>Error condition encountered during test: exit status = 139<br>Aborting<br>[Utpal@cluster example13]$ <br>............................................................................................................................................<br>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?<br>Could anyone please help me to solve this problem? Any sort of help will be thankfully acknowledged.<br><br>Thanking you.<br> <br>Sincerely <br>Barnali Bhattacharya<br>Ph.D student, Department of physics,<br>Assam university<br><br> <br><br></div>